General Information of the Compound
| Compound ID |
CP0389606
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| Compound Name |
1-(4-chlorophenyl)-3-[3-[6-[ethyl(methyl)amino]pyridin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C21H21ClN4O
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| Molecular Weight |
380.879
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| Canonical SMILES |
CCN(C)c1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C21H21ClN4O/c1-3-26(2)20-9-5-8-19(25-20)15-6-4-7-18(14-15)24-21(27)23-17-12-10-16(22)11-13-17/h4-14H,3H2,1-2H3,(H2,23,24,27)
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| InChIKey |
RFWSPILMGBXCJI-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