General Information of the Compound
| Compound ID |
CP0461006
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-propan-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]urea
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| Structure |
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| Formula |
C29H38N8O3S
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| Molecular Weight |
578.743
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(CCc2nn[nH]n2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H38N8O3S/c1-20(2)30-29(38)37(18-16-25-33-35-36-34-25)17-6-5-7-19-41-28-31-26(21-8-12-23(39-3)13-9-21)27(32-28)22-10-14-24(40-4)15-11-22/h8-15,20H,5-7,16-19H2,1-4H3,(H,30,38)(H,31,32)(H,33,34,35,36)
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| InChIKey |
XUUTYZYXTFWOAX-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