132911-52-5
AlkaPlorer ID: AK042506
Synonym: None
IUPAC Name: 3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene-20-carbaldehyde
Structure
SMILES: O=CC1=C2C3=C(C=CN2C2=CC=CC=C12)C1=CC=CC=C1N3
InChI: InChI=1S/C19H12N2O/c22-11-15-13-6-2-4-8-17(13)21-10-9-14-12-5-1-3-7-16(12)20-18(14)19(15)21/h1-11,20H
InChIKey: NSKFTNZGUJVDEK-UHFFFAOYSA-N
Reference
PubChem CID: 378603
CAS: 132911-52-5
LOTUS: LTS0030338
COCONUT: CNP0242991
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fascaplysinopsis reticulata | Fascaplysinopsis | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 284.318
TPSA？: 37.27
MolLogP？: 4.539500000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 10000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 10000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 10000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 10000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 10000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 10000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 10000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 10000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 3572.73 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 10000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 10000.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 10000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 10000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 10000.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 344.35 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 10000.0 | nM | None |
| Homo sapiens | M14 | GI50 | 10000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 10000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 5211.95 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 10000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 10000.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 10000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 10000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 10000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 10000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 10000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 10000.0 | nM | None |
| Homo sapiens | SR | GI50 | 8770.01 | nM | None |
| Homo sapiens | SW-620 | GI50 | 10000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 10000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 10000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 10000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 10000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 10000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 10000.0 | nM | None |