General Information of the Compound
| Compound ID |
CP0963004
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| Compound Name |
(3S,4S)-N-(3-cyclobutoxy-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H31F3N2O3
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| Molecular Weight |
488.55
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| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(OC3CCC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C27H31F3N2O3/c1-5-26(15-32(24(33)18(26)4)23-16(2)8-6-9-17(23)3)25(34)31-20-12-19(27(28,29)30)13-22(14-20)35-21-10-7-11-21/h6,8-9,12-14,18,21H,5,7,10-11,15H2,1-4H3,(H,31,34)/t18-,26-/m1/s1
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| InChIKey |
CBBBVFQJJUYNNA-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