General Information of the Compound
| Compound ID |
CP0397687
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| Compound Name |
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-propan-2-yl-1-pyridin-2-ylurea
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| Structure |
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| Formula |
C29H33N5OS
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| Molecular Weight |
499.684
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| Canonical SMILES |
CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1
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| InChI |
InChI=1S/C29H33N5OS/c1-22(2)31-29(35)34(25-18-10-11-19-30-25)20-12-5-13-21-36-28-32-26(23-14-6-3-7-15-23)27(33-28)24-16-8-4-9-17-24/h3-4,6-11,14-19,22H,5,12-13,20-21H2,1-2H3,(H,31,35)(H,32,33)
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| InChIKey |
QGGZHYYQCCIRAE-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