General Information of the Compound
| Compound ID |
CP0409869
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| Compound Name |
1-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-cyclohexylmethyl]-3-pyridin-3-ylmethyl-urea
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| Structure |
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| Formula |
C29H29F6N3O2
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| Molecular Weight |
565.558
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CNC(=O)NCc3cccnc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H29F6N3O2/c30-28(31,32)23-12-20(13-24(14-23)29(33,34)35)18-40-25-10-4-9-22(26(25)21-7-2-1-3-8-21)17-38-27(39)37-16-19-6-5-11-36-15-19/h1-3,5-8,11-15,22,25-26H,4,9-10,16-18H2,(H2,37,38,39)/t22-,25+,26-/m1/s1
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| InChIKey |
SHLVDRLISHVGSO-ZSQFBXSQSA-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