General Information of the Compound
| Compound ID |
CP0509496
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| Compound Name |
4-bromo-N-(2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-5-[(2-methyl-1-oxopropyl)amino]-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H21BrN6O3
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| Molecular Weight |
509.364
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| Canonical SMILES |
CC(C)C(=O)Nc1n[nH]c(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c1Br
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| InChI |
InChI=1S/C23H21BrN6O3/c1-12(2)21(31)27-19-16(24)18(29-30-19)22(32)28-20-23(33)25-15-11-7-6-10-14(15)17(26-20)13-8-4-3-5-9-13/h3-12,20H,1-2H3,(H,25,33)(H,28,32)(H2,27,29,30,31)
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| InChIKey |
UMSSABXHWQYCTG-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