General Information of the Compound
| Compound ID |
CP0535173
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| Compound Name |
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C19H15BrClN5O3
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| Molecular Weight |
476.718
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| Canonical SMILES |
NC(=O)[C@@H](NC(=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br)c1ccccc1
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| InChI |
InChI=1S/C19H15BrClN5O3/c20-13-15(19(29)23-14(16(22)27)10-6-2-1-3-7-10)25-26-17(13)24-18(28)11-8-4-5-9-12(11)21/h1-9,14H,(H2,22,27)(H,23,29)(H2,24,25,26,28)/t14-/m0/s1
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| InChIKey |
JDOJRBSFBMFXGU-AWEZNQCLSA-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