General Information of the Compound
| Compound ID |
CP0395130
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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-pyridin-2-ylethyl)urea
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| Structure |
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| Formula |
C33H41N5O3S
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| Molecular Weight |
587.79
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C33H41N5O3S/c1-24(2)35-33(39)38(22-19-27-10-6-7-20-34-27)21-8-5-9-23-42-32-36-30(25-11-15-28(40-3)16-12-25)31(37-32)26-13-17-29(41-4)18-14-26/h6-7,10-18,20,24H,5,8-9,19,21-23H2,1-4H3,(H,35,39)(H,36,37)
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| InChIKey |
OWWILZRRLBDHOC-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