General Information of the Compound
| Compound ID |
CP0398851
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| Compound Name |
1-naphthalen-1-yl-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C26H24N4O
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| Molecular Weight |
408.505
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1cccc(n1)N1CCCC1)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C26H24N4O/c31-26(29-24-14-6-9-19-8-1-2-12-22(19)24)27-21-11-5-10-20(18-21)23-13-7-15-25(28-23)30-16-3-4-17-30/h1-2,5-15,18H,3-4,16-17H2,(H2,27,29,31)
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| InChIKey |
NHAAXFJNCOPWPB-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