General Information of the Compound
| Compound ID |
CP0915443
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-((cyclobutyl(methyl)amino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H31F6N3O2
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| Molecular Weight |
555.563
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)C2CCC2)(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/C28H31F6N3O2/c1-16-7-5-8-17(2)23(16)37-15-26(18(3)24(37)38,14-36(4)22-9-6-10-22)25(39)35-21-12-19(27(29,30)31)11-20(13-21)28(32,33)34/h5,7-8,11-13,18,22H,6,9-10,14-15H2,1-4H3,(H,35,39)/t18-,26-/m1/s1
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| InChIKey |
MAKSQRIYROWJQO-WXTAPIANSA-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