General Information of the Compound
| Compound ID |
CP0553861
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(piperidine-1-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)N1CCCCC1
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| InChI |
InChI=1S/C27H29F6N3O2/c1-34(15-18-12-20(26(28,29)30)14-21(13-18)27(31,32)33)24(37)23-17-36(25(38)35-10-6-3-7-11-35)16-22(23)19-8-4-2-5-9-19/h2,4-5,8-9,12-14,22-23H,3,6-7,10-11,15-17H2,1H3/t22-,23+/m1/s1
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| InChIKey |
ZLRYQPMGPKDVDS-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