General Information of the Compound
| Compound ID |
CP0490029
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| Compound Name |
1-(4-chlorophenyl)-3-[3-[6-(hexylamino)pyridin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C24H27ClN4O
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| Molecular Weight |
422.96
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| Canonical SMILES |
CCCCCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C24H27ClN4O/c1-2-3-4-5-16-26-23-11-7-10-22(29-23)18-8-6-9-21(17-18)28-24(30)27-20-14-12-19(25)13-15-20/h6-15,17H,2-5,16H2,1H3,(H,26,29)(H2,27,28,30)
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| InChIKey |
MGWUDWFKGCYIEP-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