General Information of the Compound
| Compound ID |
CP0464141
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| Compound Name |
(3R,4S)-N3-(3,5-bis(trifluoromethyl)benzyl)-N1-cyclohexyl-N3-methyl-4-phenylpyrrolidine-1,3-dicarboxamide
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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 |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccccc1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C28H31F6N3O2/c1-36(15-18-12-20(27(29,30)31)14-21(13-18)28(32,33)34)25(38)24-17-37(16-23(24)19-8-4-2-5-9-19)26(39)35-22-10-6-3-7-11-22/h2,4-5,8-9,12-14,22-24H,3,6-7,10-11,15-17H2,1H3,(H,35,39)/t23-,24+/m1/s1
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| InChIKey |
AWTRYVNHQRRXBP-RPWUZVMVSA-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