General Information of the Compound
| Compound ID |
CP0433496
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| Compound Name |
(+/-)-trans-2-((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methylamino)acetamide
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| Structure |
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| Formula |
C23H24F6N2O2
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| Molecular Weight |
474.445
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| Canonical SMILES |
NC(=O)CNC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C23H24F6N2O2/c24-22(25,26)17-8-14(9-18(10-17)23(27,28)29)13-33-19-7-6-16(11-31-12-20(30)32)21(19)15-4-2-1-3-5-15/h1-5,8-10,16,19,21,31H,6-7,11-13H2,(H2,30,32)/t16-,19-,21-/m0/s1
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| InChIKey |
CRYGFTHBEMRCNH-LRQRDZAKSA-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