General Information of the Compound
| Compound ID |
CP0448150
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)urea
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| Structure |
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| Formula |
C35H35F2N5O3S
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| Molecular Weight |
643.76
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H35F2N5O3S/c1-44-28-14-9-24(10-15-28)32-33(25-11-16-29(45-2)17-12-25)41-34(40-32)46-21-7-3-6-20-42(23-27-8-4-5-19-38-27)35(43)39-31-18-13-26(36)22-30(31)37/h4-5,8-19,22H,3,6-7,20-21,23H2,1-2H3,(H,39,43)(H,40,41)
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| InChIKey |
VDAACKVBVCTIAI-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