General Information of the Compound
| Compound ID |
CP0453080
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| Compound Name |
(+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)-3-methylurea
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| Structure |
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| Formula |
C22H22F6N2O2
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| Molecular Weight |
460.418
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| Canonical SMILES |
CNC(=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/C22H22F6N2O2/c1-29-20(31)30-17-7-8-18(19(17)14-5-3-2-4-6-14)32-12-13-9-15(21(23,24)25)11-16(10-13)22(26,27)28/h2-6,9-11,17-19H,7-8,12H2,1H3,(H2,29,30,31)/t17-,18+,19+/m1/s1
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| InChIKey |
CYTXURWJLFQPDZ-QYZOEREBSA-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