General Information of the Compound
| Compound ID |
CP0394375
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| Compound Name |
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C29H34F7N3O2
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| Molecular Weight |
589.596
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCN(C)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H34F7N3O2/c1-18(20-14-21(28(31,32)33)16-22(15-20)29(34,35)36)41-25-9-8-24(27(25)19-4-6-23(30)7-5-19)38(3)17-26(40)39-12-10-37(2)11-13-39/h4-7,14-16,18,24-25,27H,8-13,17H2,1-3H3/t18-,24-,25+,27+/m1/s1
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| InChIKey |
DQBXATGXVPKBRP-BGVKPSKSSA-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