General Information of the Compound
| Compound ID |
CP0497122
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| Compound Name |
4-bromo-5-[(2-chlorobenzoyl)amino]-1-phenyl-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H22BrClN6O3
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| Molecular Weight |
653.924
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1c(Br)c(nn1-c1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O
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| InChI |
InChI=1S/C32H22BrClN6O3/c33-25-27(39-40(20-13-5-2-6-14-20)29(25)38-30(41)21-15-7-9-17-23(21)34)31(42)37-28-32(43)35-24-18-10-8-16-22(24)26(36-28)19-11-3-1-4-12-19/h1-18,28H,(H,35,43)(H,37,42)(H,38,41)/t28-/m0/s1
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| InChIKey |
VLIIAPSZNQRGDF-NDEPHWFRSA-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