General Information of the Compound
| Compound ID |
CP0398220
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| Compound Name |
1-(3,5-dimethylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
Cc1cc(C)cc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)c1
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| InChI |
InChI=1S/C24H26N4O/c1-17-13-18(2)15-21(14-17)26-24(29)25-20-8-5-7-19(16-20)22-9-6-10-23(27-22)28-11-3-4-12-28/h5-10,13-16H,3-4,11-12H2,1-2H3,(H2,25,26,29)
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| InChIKey |
JDRAHOHYDYDSRQ-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