General Information of the Compound
| Compound ID |
CP0409913
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-(3-imidazol-1-ylpropyl)-3-propan-2-ylurea
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| Structure |
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| Formula |
C32H42N6O3S
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| Molecular Weight |
590.794
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(CCCn2ccnc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H42N6O3S/c1-24(2)34-32(39)38(20-8-18-37-21-17-33-23-37)19-6-5-7-22-42-31-35-29(25-9-13-27(40-3)14-10-25)30(36-31)26-11-15-28(41-4)16-12-26/h9-17,21,23-24H,5-8,18-20,22H2,1-4H3,(H,34,39)(H,35,36)
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| InChIKey |
SWKBOKPQXBIQHQ-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