General Information of the Compound
| Compound ID |
CP0418599
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| Compound Name |
3-cyclohexyl-1-[2-(3-methoxyphenyl)ethyl]-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
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| Structure |
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| Formula |
C34H44N4O2
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| Molecular Weight |
540.752
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| Canonical SMILES |
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C34H44N4O2/c1-40-32-12-7-8-27(24-32)18-21-38(34(39)36-31-10-3-2-4-11-31)26-30-9-5-6-13-33(30)29-16-14-28(15-17-29)25-37-22-19-35-20-23-37/h5-9,12-17,24,31,35H,2-4,10-11,18-23,25-26H2,1H3,(H,36,39)
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| InChIKey |
YRKPZNQKOBPXHN-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