General Information of the Compound
| Compound ID |
CP0947364
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| Compound Name |
(3R,4S)-N-(3-cyclopropyl-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H36F3N3O2
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| Molecular Weight |
527.631
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCCCC2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C30H36F3N3O2/c1-19-8-7-9-20(2)26(19)36-18-29(21(3)27(36)37,17-35-12-5-4-6-13-35)28(38)34-25-15-23(22-10-11-22)14-24(16-25)30(31,32)33/h7-9,14-16,21-22H,4-6,10-13,17-18H2,1-3H3,(H,34,38)/t21-,29-/m1/s1
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| InChIKey |
LVQNXVGWQIHOQF-ONOMSOESSA-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