General Information of the Compound
| Compound ID |
CP0526475
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)-4-phenylpyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H24F6N4O2
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| Molecular Weight |
550.503
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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)c1cnc(C)cn1
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| InChI |
InChI=1S/C27H24F6N4O2/c1-16-11-35-23(12-34-16)25(39)37-14-21(18-6-4-3-5-7-18)22(15-37)24(38)36(2)13-17-8-19(26(28,29)30)10-20(9-17)27(31,32)33/h3-12,21-22H,13-15H2,1-2H3/t21-,22+/m1/s1
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| InChIKey |
DCBQKYSGEJCDPL-YADHBBJMSA-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