General Information of the Compound
| Compound ID |
CP0504206
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| Compound Name |
3-cyclohexyl-1-(2-phenylethyl)-1-[[2-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
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| Structure |
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| Formula |
C33H42N4O
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| Molecular Weight |
510.726
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| Canonical SMILES |
O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C33H42N4O/c38-33(35-31-15-5-2-6-16-31)37(21-18-27-10-3-1-4-11-27)26-30-13-7-8-17-32(30)29-14-9-12-28(24-29)25-36-22-19-34-20-23-36/h1,3-4,7-14,17,24,31,34H,2,5-6,15-16,18-23,25-26H2,(H,35,38)
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| InChIKey |
SBRYLCYLOSNJJE-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