General Information of the Compound
| Compound ID |
CP0414020
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| Compound Name |
1-[4-(3-aminopropyl)phenyl]-5-cyclohexyl-3,3-dimethyl-2-oxo-1,4-benzodiazepine-8-carbonitrile
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(CCCN)cc2)C1=O)C#N
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| InChI |
InChI=1S/C27H32N4O/c1-27(2)26(32)31(22-13-10-19(11-14-22)7-6-16-28)24-17-20(18-29)12-15-23(24)25(30-27)21-8-4-3-5-9-21/h10-15,17,21H,3-9,16,28H2,1-2H3
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| InChIKey |
VFQUTKLPFLZUST-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