General Information of the Compound
| Compound ID |
CP0910933
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| Compound Name |
2-(R)-4-Fluoro-2-methylphenyl)piperazine-1-carboxylic Acid [1-(R)-(3,5-Bis-trifluoromethylphenyl)ethyl]methylamide
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| Structure |
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| Formula |
C25H28F7N3O3
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| Molecular Weight |
551.503
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| Canonical SMILES |
CC(=O)O.Cc1cc(F)ccc1[C@@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H24F7N3O.C2H4O2/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-2(3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,3,4)/t14-,20+;/m1./s1
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| InChIKey |
SOVDZYIWONLWDU-MRVNXENUSA-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