General Information of the Compound
| Compound ID |
CP0942371
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| Compound Name |
(3R,4S)-1-(2,6-dimethylphenyl)-3-((isobutyl(methyl)amino)methyl)-N-(3-isopropoxy-5-(trifluoromethyl)phenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H40F3N3O3
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| Molecular Weight |
547.662
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)CC(C)C)(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C30H40F3N3O3/c1-18(2)15-35(8)16-29(17-36(27(37)22(29)7)26-20(5)10-9-11-21(26)6)28(38)34-24-12-23(30(31,32)33)13-25(14-24)39-19(3)4/h9-14,18-19,22H,15-17H2,1-8H3,(H,34,38)/t22-,29-/m1/s1
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| InChIKey |
STVKHZUWHLWRNJ-KPURRNSFSA-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