General Information of the Compound
| Compound ID |
CP0961102
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| Compound Name |
(3R,4S)-N-(3-cyclopropyl-5-(trifluoromethyl)phenyl)-3-((diethylamino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H36F3N3O2
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| Molecular Weight |
515.62
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| Canonical SMILES |
CCN(CC)C[C@@]1(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C29H36F3N3O2/c1-6-34(7-2)16-28(17-35(26(36)20(28)5)25-18(3)9-8-10-19(25)4)27(37)33-24-14-22(21-11-12-21)13-23(15-24)29(30,31)32/h8-10,13-15,20-21H,6-7,11-12,16-17H2,1-5H3,(H,33,37)/t20-,28-/m1/s1
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| InChIKey |
BLGKCGLKODCYMC-PIIWDFAUSA-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