General Information of the Compound
| Compound ID |
CP0930854
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-(((4-fluorobutyl)(methyl)amino)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H32F7N3O2
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| Molecular Weight |
575.569
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)CCCCF)(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/C28H32F7N3O2/c1-17-8-7-9-18(2)23(17)38-16-26(19(3)24(38)39,15-37(4)11-6-5-10-29)25(40)36-22-13-20(27(30,31)32)12-21(14-22)28(33,34)35/h7-9,12-14,19H,5-6,10-11,15-16H2,1-4H3,(H,36,40)/t19-,26-/m1/s1
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| InChIKey |
CISUXAXXTJZISD-NIYFSFCBSA-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