General Information of the Compound
| Compound ID |
CP0942372
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-3-((methyl(propyl)amino)methyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H31F6N3O2
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| Molecular Weight |
543.552
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| Canonical SMILES |
CCCN(C)C[C@@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C27H31F6N3O2/c1-6-10-35(5)14-25(15-36(23(37)18(25)4)22-16(2)8-7-9-17(22)3)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h7-9,11-13,18H,6,10,14-15H2,1-5H3,(H,34,38)/t18-,25-/m1/s1
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| InChIKey |
QKUPGIVNVHFQRF-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