General Information of the Compound
| Compound ID |
CP0459981
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| Compound Name |
1-tert-butyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H34N4O3S
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| Molecular Weight |
434.606
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| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C22H34N4O3S/c1-14-10-12-17(13-11-14)30(28,29)25-19-18(15(2)24-26(19)22(7,8)9)20(27)23-16(3)21(4,5)6/h10-13,16,25H,1-9H3,(H,23,27)/t16-/m0/s1
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| InChIKey |
RVYSGEXWPGHSKN-INIZCTEOSA-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