General Information of the Compound
| Compound ID |
CP0465566
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| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-3,8-dimethyl-7-phenylmethoxy-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C34H38N6O2
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| Molecular Weight |
562.718
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| Canonical SMILES |
CN1N=C(C2CCCCC2)c2cc(OCc3ccccc3)c(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O
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| InChI |
InChI=1S/C34H38N6O2/c1-24-21-30-29(22-31(24)42-23-25-9-5-3-6-10-25)33(26-11-7-4-8-12-26)38-39(2)34(41)40(30)28-15-13-27(14-16-28)35-18-17-32-36-19-20-37-32/h3,5-6,9-10,13-16,19-22,26,35H,4,7-8,11-12,17-18,23H2,1-2H3,(H,36,37)
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| InChIKey |
GOMKIQDFMMZDAI-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