General Information of the Compound
| Compound ID |
CP0958619
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| Compound Name |
(3R,4S)-3-((diethylamino)methyl)-1-(2,6-dimethylphenyl)-N-(3-isopropoxy-5-(trifluoromethyl)phenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H38F3N3O3
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| Molecular Weight |
533.635
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| Canonical SMILES |
CCN(CC)C[C@@]1(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C29H38F3N3O3/c1-8-34(9-2)16-28(17-35(26(36)21(28)7)25-19(5)11-10-12-20(25)6)27(37)33-23-13-22(29(30,31)32)14-24(15-23)38-18(3)4/h10-15,18,21H,8-9,16-17H2,1-7H3,(H,33,37)/t21-,28-/m1/s1
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| InChIKey |
OHAPXFFQTCPCSH-LYZGTLIUSA-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