General Information of the Compound
| Compound ID |
CP0869135
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| Compound Name |
(3R,4S)-N-(3-chloro-5-(trifluoromethyl)phenyl)-3-((diethylamino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H31ClF3N3O2
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| Molecular Weight |
510
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| Canonical SMILES |
CCN(CC)C[C@@]1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C26H31ClF3N3O2/c1-6-32(7-2)14-25(24(35)31-21-12-19(26(28,29)30)11-20(27)13-21)15-33(23(34)18(25)5)22-16(3)9-8-10-17(22)4/h8-13,18H,6-7,14-15H2,1-5H3,(H,31,35)/t18-,25-/m1/s1
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| InChIKey |
MKMKAZRYMDXSFG-IQGLISFBSA-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