General Information of the Compound
| Compound ID |
CP0486503
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| Compound Name |
(3S,4S)-N-[(4-ethylsulfonylphenyl)methyl]-3-(4-fluorophenyl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide
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| Formula |
C30H29F7N2O4S
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| Molecular Weight |
646.625
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C30H29F7N2O4S/c1-3-44(42,43)24-14-4-19(5-15-24)16-38-26(40)39-17-25(27(2,18-39)21-10-12-23(31)13-11-21)20-6-8-22(9-7-20)28(41,29(32,33)34)30(35,36)37/h4-15,25,41H,3,16-18H2,1-2H3,(H,38,40)/t25-,27+/m0/s1
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| InChIKey |
IBNDCXHHUIUCTG-AHKZPQOWSA-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