General Information of the Compound
| Compound ID |
CP0959639
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| Compound Name |
N-(5-cyano-2-(4-((3-methoxyphenyl)sulfonyl)piperidin-1-yl)phenyl)-3-methoxy-1-methyl-1H-pyrazoIe-4-carboxamide
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| Structure |
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| Formula |
C25H27N5O5S
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| Molecular Weight |
509.588
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| Canonical SMILES |
COc1cccc(S(=O)(=O)C2CCN(c3ccc(C#N)cc3NC(=O)c3cn(C)nc3OC)CC2)c1
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| InChI |
InChI=1S/C25H27N5O5S/c1-29-16-21(25(28-29)35-3)24(31)27-22-13-17(15-26)7-8-23(22)30-11-9-19(10-12-30)36(32,33)20-6-4-5-18(14-20)34-2/h4-8,13-14,16,19H,9-12H2,1-3H3,(H,27,31)
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| InChIKey |
CLQKZPNHUSGORT-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