General Information of the Compound
| Compound ID |
CP0439766
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| Compound Name |
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[(1R)-1-[(dimethylamino)carbonyl]propyl]-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H19BrClN5O3
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| Molecular Weight |
456.728
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| Canonical SMILES |
CC[C@@H](NC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)C(=O)N(C)C
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| InChI |
InChI=1S/C17H19BrClN5O3/c1-4-11(17(27)24(2)3)20-16(26)13-12(18)14(23-22-13)21-15(25)9-7-5-6-8-10(9)19/h5-8,11H,4H2,1-3H3,(H,20,26)(H2,21,22,23,25)/t11-/m1/s1
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| InChIKey |
WHGZEXZQUDDHSK-LLVKDONJSA-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