General Information of the Compound
| Compound ID |
CP0414352
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| Compound Name |
8-chloro-5-cyclohexyl-3,3-dimethyl-1-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]-1-benzazepin-2-one
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| Structure |
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| Formula |
C31H40ClN3O2
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| Molecular Weight |
522.133
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| Canonical SMILES |
CC1(C)C=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O
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| InChI |
InChI=1S/C31H40ClN3O2/c1-31(2)21-28(22-6-4-3-5-7-22)27-13-8-23(32)20-29(27)35(30(31)36)26-11-9-24(10-12-26)33-16-17-34-25-14-18-37-19-15-25/h8-13,20-22,25,33-34H,3-7,14-19H2,1-2H3
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| InChIKey |
WBZNPERKZNJHGD-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