General Information of the Compound
| Compound ID |
CP0393230
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| Compound Name |
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1,4,5-triphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
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| Structure |
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| Formula |
C40H44F2N4OS
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| Molecular Weight |
666.882
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C40H44F2N4OS/c1-2-3-4-5-16-27-45(39(47)43-36-26-25-33(41)30-35(36)42)28-17-9-18-29-48-40-44-37(31-19-10-6-11-20-31)38(32-21-12-7-13-22-32)46(40)34-23-14-8-15-24-34/h6-8,10-15,19-26,30H,2-5,9,16-18,27-29H2,1H3,(H,43,47)
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| InChIKey |
URSAJEGPNLHYLR-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