General Information of the Compound
| Compound ID |
CP0969757
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| Compound Name |
N-(2-(4-(4-fluoro-2-methylbenzoyl)piperazin-1-yl)-5-(methylsulfonyl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H27FN4O5S
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| Molecular Weight |
526.59
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1N1CCN(C(=O)c2ccc(F)cc2C)CC1
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| InChI |
InChI=1S/C26H27FN4O5S/c1-17-15-18(27)6-8-20(17)26(33)31-13-11-30(12-14-31)23-9-7-19(37(3,34)35)16-22(23)29-24(32)21-5-4-10-28-25(21)36-2/h4-10,15-16H,11-14H2,1-3H3,(H,29,32)
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| InChIKey |
GIKIVZWLOXRDGG-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