General Information of the Compound
| Compound ID |
CP0459243
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C46H54N6O3S2
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| Molecular Weight |
803.111
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C46H54N6O3S2/c1-33(2)47-46(53)52(29-13-7-15-31-56-44-48-40(34-17-9-5-10-18-34)41(49-44)35-19-11-6-12-20-35)30-14-8-16-32-57-45-50-42(36-21-25-38(54-3)26-22-36)43(51-45)37-23-27-39(55-4)28-24-37/h5-6,9-12,17-28,33H,7-8,13-16,29-32H2,1-4H3,(H,47,53)(H,48,49)(H,50,51)
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| InChIKey |
JCZPBLYHVSZUAG-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