General Information of the Compound
| Compound ID |
CP0449157
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| Compound Name |
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-propan-2-yl-1-(2-pyridin-2-ylethyl)urea
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| Structure |
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| Formula |
C31H37N5OS
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| Molecular Weight |
527.738
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| Canonical SMILES |
CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCc1ccccn1
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| InChI |
InChI=1S/C31H37N5OS/c1-24(2)33-31(37)36(22-19-27-18-10-11-20-32-27)21-12-5-13-23-38-30-34-28(25-14-6-3-7-15-25)29(35-30)26-16-8-4-9-17-26/h3-4,6-11,14-18,20,24H,5,12-13,19,21-23H2,1-2H3,(H,33,37)(H,34,35)
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| InChIKey |
WCGYVMMVCWPXRM-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