General Information of the Compound
| Compound ID |
CP0510577
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| Compound Name |
1-[5-[[4,5-bis[4-(dimethylamino)phenyl]-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 |
C48H60N8OS2
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| Molecular Weight |
829.197
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| Canonical SMILES |
CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C48H60N8OS2/c1-35(2)49-48(57)56(31-15-9-17-33-58-46-50-42(36-19-11-7-12-20-36)43(51-46)37-21-13-8-14-22-37)32-16-10-18-34-59-47-52-44(38-23-27-40(28-24-38)54(3)4)45(53-47)39-25-29-41(30-26-39)55(5)6/h7-8,11-14,19-30,35H,9-10,15-18,31-34H2,1-6H3,(H,49,57)(H,50,51)(H,52,53)
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| InChIKey |
DVRCLFWPZOCFLG-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