N-[(E)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexanecarboxamide
AlkaPlorer ID: AK549219
Synonym: None
IUPAC Name: N-[(E)-3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]cyclohexanecarboxamide
Structure
SMILES: COC1=CC(/C=C(/NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)C2=CC=CC(=O)N2C3)=CC(OC)=C1OC
InChI: InChI=1S/C30H37N3O6/c1-37-25-14-19(15-26(38-2)28(25)39-3)13-23(31-29(35)21-8-5-4-6-9-21)30(36)32-16-20-12-22(18-32)24-10-7-11-27(34)33(24)17-20/h7,10-11,13-15,20-22H,4-6,8-9,12,16-18H2,1-3H3,(H,31,35)/b23-13+/t20-,22+/m1/s1
InChIKey: VMNCNWIVQFVYOA-MBIGCVILSA-N
Reference
PubChem CID: 92694938
Source
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Properties Information
Molecule Weight: 535.6410000000003
TPSA?: 99.10000000000002
MolLogP?: 3.557400000000003
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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