General Information of the Compound
| Compound ID |
CP0576163
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-5-cyclohexyl-3-methyl-3-propan-2-yl-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C27H35ClN4O
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| Molecular Weight |
467.057
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| Canonical SMILES |
CC(C)C1(C)N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O
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| InChI |
InChI=1S/C27H35ClN4O/c1-18(2)27(3)26(33)32(22-12-10-21(11-13-22)30-16-15-29)24-17-20(28)9-14-23(24)25(31-27)19-7-5-4-6-8-19/h9-14,17-19,30H,4-8,15-16,29H2,1-3H3
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| InChIKey |
KKOMYSWUBQXJPO-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