General Information of the Compound
| Compound ID |
CP0396086
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| Compound Name |
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(1-methoxypropan-2-yl)-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H34N4O4S
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| Molecular Weight |
450.605
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| Canonical SMILES |
COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H34N4O4S/c1-14-9-11-18(12-10-14)31(28,29)25-20-19(21(27)23-17(4)22(5,6)7)16(3)24-26(20)15(2)13-30-8/h9-12,15,17,25H,13H2,1-8H3,(H,23,27)/t15?,17-/m0/s1
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| InChIKey |
PRLQJMZZLUVWAX-LWKPJOBUSA-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