General Information of the Compound
| Compound ID |
CP0503379
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| Compound Name |
(+/-)-cis-1-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)urea
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| Structure |
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| Formula |
C21H20F6N2O2
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| Molecular Weight |
446.391
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| Canonical SMILES |
NC(=O)N[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/C21H20F6N2O2/c22-20(23,24)14-8-12(9-15(10-14)21(25,26)27)11-31-17-7-6-16(29-19(28)30)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11H2,(H3,28,29,30)/t16-,17-,18+/m0/s1
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| InChIKey |
VGUKDVJSFQFTIS-OKZBNKHCSA-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