General Information of the Compound
| Compound ID |
CP0957882
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| Compound Name |
tert-butyl 4-(3-(3,5-bis(trifluoromethyl)phenylcarbamoyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H35F6N3O4
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| Molecular Weight |
627.626
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| Canonical SMILES |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2CCN(C(=O)OC(C)(C)C)CC2)CC1=O
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| InChI |
InChI=1S/C31H35F6N3O4/c1-18-7-6-8-19(2)25(18)40-17-29(16-24(40)41,20-9-11-39(12-10-20)27(43)44-28(3,4)5)26(42)38-23-14-21(30(32,33)34)13-22(15-23)31(35,36)37/h6-8,13-15,20H,9-12,16-17H2,1-5H3,(H,38,42)
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| InChIKey |
HUQGOWJXRXYNBV-UHFFFAOYSA-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