None
AlkaPlorer ID: AK324494
Synonym: None
IUPAC Name: methyl (1S,15S,17S,18S)-17-ethyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)C4=C(CCN(C2=O)[C@@H]13)C1=CC=CC=C1N4
InChI: InChI=1S/C21H24N2O3/c1-3-12-10-13-11-21(20(25)26-2)17-15(8-9-23(18(12)21)19(13)24)14-6-4-5-7-16(14)22-17/h4-7,12-13,18,22H,3,8-11H2,1-2H3/t12-,13-,18-,21+/m0/s1
InChIKey: MMMDVGMDEBDBOH-UFUGXISJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 352.434
TPSA？: 62.4
MolLogP？: 2.7818000000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | Activity | None | None | 10.1021/np50057a012 |
| Mus musculus | P388 | Activity | None | None | 10.1021/np50057a012 |