General Information of the Compound
| Compound ID |
CP0402507
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| Compound Name |
N-[9-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]nonyl]acetamide
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| Structure |
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| Formula |
C29H40N6O3
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| Molecular Weight |
520.678
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| Canonical SMILES |
CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C29H40N6O3/c1-23(36)30-15-9-5-3-2-4-6-10-17-33-18-20-34(21-19-33)22-27(37)35-26-14-8-7-12-24(26)29(38)32-25-13-11-16-31-28(25)35/h7-8,11-14,16H,2-6,9-10,15,17-22H2,1H3,(H,30,36)(H,32,38)
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| InChIKey |
ABZHOKIUWQKMER-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound