General Information of the Compound
| Compound ID |
CP0464591
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| Compound Name |
5-(acetylamino)-4-bromo-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 |
C21H17BrN6O3
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| Molecular Weight |
481.31
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| Canonical SMILES |
CC(=O)Nc1n[nH]c(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c1Br
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| InChI |
InChI=1S/C21H17BrN6O3/c1-11(29)23-18-15(22)17(27-28-18)20(30)26-19-21(31)24-14-10-6-5-9-13(14)16(25-19)12-7-3-2-4-8-12/h2-10,19H,1H3,(H,24,31)(H,26,30)(H2,23,27,28,29)
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| InChIKey |
ADFADTWVIXXRIA-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