General Information of the Compound
| Compound ID |
CP0963446
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| Compound Name |
N-(5-cyano-2-(4-((3-fIuorophenyl)sulfonyl)piperidin-1-yl)phenyl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H24FN5O4S
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| Molecular Weight |
497.552
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(S(=O)(=O)c2cccc(F)c2)CC1
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| InChI |
InChI=1S/C24H24FN5O4S/c1-29-15-20(24(28-29)34-2)23(31)27-21-12-16(14-26)6-7-22(21)30-10-8-18(9-11-30)35(32,33)19-5-3-4-17(25)13-19/h3-7,12-13,15,18H,8-11H2,1-2H3,(H,27,31)
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| InChIKey |
AOBVTAYDTPJUBO-UHFFFAOYSA-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