General Information of the Compound
| Compound ID |
CP0851327
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-3-((methyl(neopentyl)amino)methyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H35F6N3O2
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| Molecular Weight |
571.606
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)CC(C)(C)C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C29H35F6N3O2/c1-17-9-8-10-18(2)23(17)38-16-27(19(3)24(38)39,15-37(7)14-26(4,5)6)25(40)36-22-12-20(28(30,31)32)11-21(13-22)29(33,34)35/h8-13,19H,14-16H2,1-7H3,(H,36,40)/t19-,27-/m1/s1
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| InChIKey |
LHPMPJXGRLMEQY-XHCCPWGMSA-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