General Information of the Compound
| Compound ID |
CP0487504
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| Compound Name |
1-[3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C27H36FN3O2
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| Molecular Weight |
453.602
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| Canonical SMILES |
COc1cccc(NC(=O)NC2CCCC(CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
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| InChI |
InChI=1S/C27H36FN3O2/c1-33-26-7-3-6-25(18-26)30-27(32)29-24-5-2-4-22(17-24)19-31-14-12-21(13-15-31)16-20-8-10-23(28)11-9-20/h3,6-11,18,21-22,24H,2,4-5,12-17,19H2,1H3,(H2,29,30,32)
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| InChIKey |
JGTFGENGLZWIEQ-UHFFFAOYSA-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