General Information of the Compound
| Compound ID |
CP0553024
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-3,3-dimethyl-5-(1-methylcyclohexyl)-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C26H33ClN4O
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| Molecular Weight |
453.03
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| Canonical SMILES |
CC1(CCCCC1)C1=NC(C)(C)C(=O)N(c2ccc(NCCN)cc2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C26H33ClN4O/c1-25(2)24(32)31(20-10-8-19(9-11-20)29-16-15-28)22-17-18(27)7-12-21(22)23(30-25)26(3)13-5-4-6-14-26/h7-12,17,29H,4-6,13-16,28H2,1-3H3
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| InChIKey |
BMULTBHELYSAKT-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