General Information of the Compound
| Compound ID |
CP0957891
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| Compound Name |
(3R,4S)-1-(2,6-dimethylphenyl)-N-(3-fluoro-5-(trifluoromethyl)phenyl)-4-methyl-5-oxo-3-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H31F7N4O2
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| Molecular Weight |
588.568
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCN(CC(F)(F)F)CC2)(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C28H31F7N4O2/c1-17-5-4-6-18(2)23(17)39-15-26(19(3)24(39)40,14-37-7-9-38(10-8-37)16-27(30,31)32)25(41)36-22-12-20(28(33,34)35)11-21(29)13-22/h4-6,11-13,19H,7-10,14-16H2,1-3H3,(H,36,41)/t19-,26-/m1/s1
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| InChIKey |
MRYPZDHFGWXSLN-NIYFSFCBSA-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