General Information of the Compound
| Compound ID |
CP0499725
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| Compound Name |
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(1,1-dioxothian-4-yl)-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H34N4O5S2
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| Molecular Weight |
510.682
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| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nn(C2CCS(=O)(=O)CC2)c1NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H34N4O5S2/c1-15-7-9-19(10-8-15)34(31,32)26-21-20(22(28)24-17(3)23(4,5)6)16(2)25-27(21)18-11-13-33(29,30)14-12-18/h7-10,17-18,26H,11-14H2,1-6H3,(H,24,28)/t17-/m0/s1
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| InChIKey |
ZCWSQONNVIUDNV-KRWDZBQOSA-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