General Information of the Compound
| Compound ID |
CP0511992
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| Compound Name |
(3S,4S)-N-[(4-cyanophenyl)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 |
C29H24F7N3O2
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| Molecular Weight |
579.516
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCc1ccc(cc1)C#N)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H24F7N3O2/c1-26(21-10-12-23(30)13-11-21)17-39(25(40)38-15-19-4-2-18(14-37)3-5-19)16-24(26)20-6-8-22(9-7-20)27(41,28(31,32)33)29(34,35)36/h2-13,24,41H,15-17H2,1H3,(H,38,40)/t24-,26+/m0/s1
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| InChIKey |
IXYVFFSLTDHRCY-AZGAKELHSA-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