General Information of the Compound
| Compound ID |
CP0212056
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| Compound Name |
5-(Phenylsulfonyl)-N-{1-[(6-pyrrolidin-1-ylpyridin-3-yl)carbonyl]piperidin-4-yl}-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C28H29F3N4O5S2
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| Molecular Weight |
622.691
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(nc1)N1CCCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H29F3N4O5S2/c29-28(30,31)24-10-9-23(41(37,38)22-6-2-1-3-7-22)18-25(24)42(39,40)33-21-12-16-35(17-13-21)27(36)20-8-11-26(32-19-20)34-14-4-5-15-34/h1-3,6-11,18-19,21,33H,4-5,12-17H2
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| InChIKey |
BJYVJTMJQKDWCY-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