General Information of the Compound
| Compound ID |
CP0922632
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-(((cyclopropylmethyl)(2-fluoroethyl)amino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H32F7N3O2
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| Molecular Weight |
587.58
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(CCF)CC2CC2)(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/C29H32F7N3O2/c1-17-5-4-6-18(2)24(17)39-16-27(19(3)25(39)40,15-38(10-9-30)14-20-7-8-20)26(41)37-23-12-21(28(31,32)33)11-22(13-23)29(34,35)36/h4-6,11-13,19-20H,7-10,14-16H2,1-3H3,(H,37,41)/t19-,27-/m1/s1
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| InChIKey |
KLYYZBJJPKFALE-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