General Information of the Compound
| Compound ID |
CP0460320
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| Compound Name |
1-[4-(dimethylamino)phenyl]-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
CN(C)c1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
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| InChI |
InChI=1S/C24H27N5O/c1-28(2)21-13-11-19(12-14-21)25-24(30)26-20-8-5-7-18(17-20)22-9-6-10-23(27-22)29-15-3-4-16-29/h5-14,17H,3-4,15-16H2,1-2H3,(H2,25,26,30)
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| InChIKey |
JXXPBVZOWZSFBD-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