General Information of the Compound
| Compound ID |
CP0101895
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| Compound Name |
1-(4-benzoylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C29H26N4O2
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| Molecular Weight |
462.553
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
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| InChI |
InChI=1S/C29H26N4O2/c34-28(21-8-2-1-3-9-21)22-14-16-24(17-15-22)30-29(35)31-25-11-6-10-23(20-25)26-12-7-13-27(32-26)33-18-4-5-19-33/h1-3,6-17,20H,4-5,18-19H2,(H2,30,31,35)
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| InChIKey |
IEBDUSKHJNOFNQ-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