General Information of the Compound
| Compound ID |
CP0408372
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| Compound Name |
(+/-)-cis-5-((((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methyl)(methyl)amino)methyl)-2H-1,2,4-triazol-3(4H)-one
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| Structure |
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| Formula |
C25H26F6N4O2
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| Molecular Weight |
528.497
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| Canonical SMILES |
CN(C[C@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C25H26F6N4O2/c1-35(13-21-32-23(36)34-33-21)12-17-7-8-20(22(17)16-5-3-2-4-6-16)37-14-15-9-18(24(26,27)28)11-19(10-15)25(29,30)31/h2-6,9-11,17,20,22H,7-8,12-14H2,1H3,(H2,32,33,34,36)/t17-,20+,22-/m1/s1
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| InChIKey |
BZPPUKJKOJHWKN-PIPMEXSNSA-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