General Information of the Compound
| Compound ID |
CP0289973
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C29H29F3N4O6S2
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| Molecular Weight |
650.701
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccncc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H29F3N4O6S2/c30-29(31,32)24-9-8-23(43(39,40)22-5-2-1-3-6-22)19-26(24)44(41,42)34-21-12-17-35(18-13-21)28(38)25-7-4-16-36(25)27(37)20-10-14-33-15-11-20/h1-3,5-6,8-11,14-15,19,21,25,34H,4,7,12-13,16-18H2/t25-/m0/s1
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| InChIKey |
WAWYMBXODUTKBX-VWLOTQADSA-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