General Information of the Compound
| Compound ID |
CP0515044
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(piperidine-4-carbonyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H29F6N3O2
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| Molecular Weight |
541.536
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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)C1CCNCC1
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| InChI |
InChI=1S/C27H29F6N3O2/c1-35(14-17-11-20(26(28,29)30)13-21(12-17)27(31,32)33)25(38)23-16-36(24(37)19-7-9-34-10-8-19)15-22(23)18-5-3-2-4-6-18/h2-6,11-13,19,22-23,34H,7-10,14-16H2,1H3/t22-,23+/m1/s1
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| InChIKey |
YJTMHZTWZXTPJA-PKTZIBPZSA-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