General Information of the Compound
| Compound ID |
CP0269762
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| Compound Name |
(2S)-N-Phenyl-2-{[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)-phenyl]sulfonyl}amino)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C30H31F3N4O6S2
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| Molecular Weight |
664.728
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H31F3N4O6S2/c31-30(32,33)25-14-13-24(44(40,41)23-10-5-2-6-11-23)20-27(25)45(42,43)35-22-15-18-36(19-16-22)28(38)26-12-7-17-37(26)29(39)34-21-8-3-1-4-9-21/h1-6,8-11,13-14,20,22,26,35H,7,12,15-19H2,(H,34,39)/t26-/m0/s1
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| InChIKey |
XVNXQYZVQVAWDS-SANMLTNESA-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