methyl 3,13,17-triazapentacyclo[11.9.0.0²,¹?.0?,?.0¹?,²?]docosa-2(10),4,6,8,15(20),16,18,21-octaene-19-carboxylate
AlkaPlorer ID: AK325082
Synonym: None
IUPAC Name: methyl 3,13,17-triazapentacyclo[11.9.0.02,10.04,9.015,20]docosa-2(10),4,6,8,15,17,19,21-octaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CN=CC2=C1C=CC1C3=C(CCN1C2)C1=CC=CC=C1N3
InChI: InChI=1S/C21H19N3O2/c1-26-21(25)17-11-22-10-13-12-24-9-8-16-15-4-2-3-5-18(15)23-20(16)19(24)7-6-14(13)17/h2-7,10-11,19,23H,8-9,12H2,1H3
InChIKey: VQJVDTQRQSALMX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea diderrichii | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.402
TPSA？: 58.22
MolLogP？: 3.4757000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|