General Information of the Compound
| Compound ID |
CP0472277
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| Compound Name |
5-cyclohexyl-3,3-dimethyl-1-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]-2-oxo-1-benzazepine-8-carbonitrile
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| Structure |
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| Formula |
C32H40N4O2
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| Molecular Weight |
512.698
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| Canonical SMILES |
CC1(C)C=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O)C#N
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| InChI |
InChI=1S/C32H40N4O2/c1-32(2)21-29(24-6-4-3-5-7-24)28-13-8-23(22-33)20-30(28)36(31(32)37)27-11-9-25(10-12-27)34-16-17-35-26-14-18-38-19-15-26/h8-13,20-21,24,26,34-35H,3-7,14-19H2,1-2H3
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| InChIKey |
PACPJGSDRYHSIG-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