General Information of the Compound
| Compound ID |
CP0532307
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| Compound Name |
1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C22H29F4N3O
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| Molecular Weight |
427.486
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| Canonical SMILES |
Fc1cc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H29F4N3O/c23-18-12-17(22(24,25)26)13-20(14-18)28-21(30)27-19-8-10-29(11-9-19)15-16-6-4-2-1-3-5-7-16/h6,12-14,19H,1-5,7-11,15H2,(H2,27,28,30)/b16-6+
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| InChIKey |
SBZJQHANYRDHRT-OMCISZLKSA-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