General Information of the Compound
| Compound ID |
CP0485853
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| Compound Name |
(+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)-1,3,3-trimethylurea
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| Structure |
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| Formula |
C24H26F6N2O2
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| Molecular Weight |
488.472
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| Canonical SMILES |
CN(C)C(=O)N(C)[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/C24H26F6N2O2/c1-31(2)22(33)32(3)19-9-10-20(21(19)16-7-5-4-6-8-16)34-14-15-11-17(23(25,26)27)13-18(12-15)24(28,29)30/h4-8,11-13,19-21H,9-10,14H2,1-3H3/t19-,20+,21+/m1/s1
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| InChIKey |
PSFFYUGEAZLKJI-HKBOAZHASA-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