General Information of the Compound
| Compound ID |
CP0575547
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| Compound Name |
1-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-2-methylphenyl]-3-phenylurea
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)C(=O)C2CCCC2)cccc1NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C25H32N4O2/c1-19-21(10-7-13-23(19)27-25(31)26-22-11-3-2-4-12-22)18-28-14-16-29(17-15-28)24(30)20-8-5-6-9-20/h2-4,7,10-13,20H,5-6,8-9,14-18H2,1H3,(H2,26,27,31)
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| InChIKey |
FXDHHICKEURBRU-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