General Information of the Compound
| Compound ID |
CP0515822
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| Compound Name |
3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
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| Structure |
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| Formula |
C29H42N4O2
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| Molecular Weight |
478.681
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| Canonical SMILES |
COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C29H42N4O2/c1-35-21-7-18-33(29(34)31-27-9-3-2-4-10-27)23-26-8-5-6-11-28(26)25-14-12-24(13-15-25)22-32-19-16-30-17-20-32/h5-6,8,11-15,27,30H,2-4,7,9-10,16-23H2,1H3,(H,31,34)
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| InChIKey |
ZOEORMSLKMPZEB-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