General Information of the Compound
| Compound ID |
CP0094906
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| Compound Name |
1-oxo-N-pyridin-4-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
O=C(Nc1ccncc1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C18H16N4O2/c23-17(21-14-4-7-19-8-5-14)13-3-2-12-10-16-18(24)20-6-1-9-22(16)15(12)11-13/h2-5,7-8,10-11H,1,6,9H2,(H,20,24)(H,19,21,23)
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| InChIKey |
FTOWCRNOCYACIS-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