General Information of the Compound
| Compound ID |
CP0958615
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-((cyclohexyl(methyl)amino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H35F6N3O2
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| Molecular Weight |
583.617
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)C2CCCCC2)(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/C30H35F6N3O2/c1-18-9-8-10-19(2)25(18)39-17-28(20(3)26(39)40,16-38(4)24-11-6-5-7-12-24)27(41)37-23-14-21(29(31,32)33)13-22(15-23)30(34,35)36/h8-10,13-15,20,24H,5-7,11-12,16-17H2,1-4H3,(H,37,41)/t20-,28-/m1/s1
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| InChIKey |
VMJAOKXQYQIZIM-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