General Information of the Compound
| Compound ID |
CP0389605
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| Compound Name |
1-(4-chlorophenyl)-3-[3-[6-(dibutylamino)pyridin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C26H31ClN4O
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| Molecular Weight |
451.014
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| Canonical SMILES |
CCCCN(CCCC)c1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C26H31ClN4O/c1-3-5-17-31(18-6-4-2)25-12-8-11-24(30-25)20-9-7-10-23(19-20)29-26(32)28-22-15-13-21(27)14-16-22/h7-16,19H,3-6,17-18H2,1-2H3,(H2,28,29,32)
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| InChIKey |
QSIBJPQGFDSJOU-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