General Information of the Compound
| Compound ID |
CP0414019
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| Compound Name |
5-cyclohexyl-3,3-dimethyl-1-[4-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethylamino]phenyl]-2-oxo-1,4-benzodiazepine-8-carbonitrile
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| Structure |
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| Formula |
C32H42N6O3S
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| Molecular Weight |
590.794
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| Canonical SMILES |
CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCNC3CCN(CC3)S(C)(=O)=O)cc2)C1=O)C#N
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| InChI |
InChI=1S/C32H42N6O3S/c1-32(2)31(39)38(29-21-23(22-33)9-14-28(29)30(36-32)24-7-5-4-6-8-24)27-12-10-25(11-13-27)34-17-18-35-26-15-19-37(20-16-26)42(3,40)41/h9-14,21,24,26,34-35H,4-8,15-20H2,1-3H3
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| InChIKey |
ZAKVTKDEBWQNDT-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