General Information of the Compound
| Compound ID |
CP0522405
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| Compound Name |
3-cyclohexyl-1-[2-(3-methoxyphenyl)ethyl]-1-[[2-[4-(2-piperazin-1-ylethyl)phenyl]phenyl]methyl]urea
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| Structure |
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| Formula |
C35H46N4O2
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| Molecular Weight |
554.779
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| Canonical SMILES |
COc1cccc(CCN(Cc2ccccc2-c2ccc(CCN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C35H46N4O2/c1-41-33-12-7-8-29(26-33)19-23-39(35(40)37-32-10-3-2-4-11-32)27-31-9-5-6-13-34(31)30-16-14-28(15-17-30)18-22-38-24-20-36-21-25-38/h5-9,12-17,26,32,36H,2-4,10-11,18-25,27H2,1H3,(H,37,40)
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| InChIKey |
WBUVFNUXSHXSBW-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