General Information of the Compound
| Compound ID |
CP0414608
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| Compound Name |
1-phenyl-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
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| InChI |
InChI=1S/C22H22N4O/c27-22(23-18-9-2-1-3-10-18)24-19-11-6-8-17(16-19)20-12-7-13-21(25-20)26-14-4-5-15-26/h1-3,6-13,16H,4-5,14-15H2,(H2,23,24,27)
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| InChIKey |
YTZKNNAQINHHJH-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