General Information of the Compound
| Compound ID |
CP0403985
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| Compound Name |
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-3-propan-2-yl-1-(pyridin-2-ylmethyl)urea
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| Structure |
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| Formula |
C32H39N5O3S
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| Molecular Weight |
573.763
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H39N5O3S/c1-23(2)34-32(38)37(22-26-10-6-7-19-33-26)20-8-5-9-21-41-31-35-29(24-11-15-27(39-3)16-12-24)30(36-31)25-13-17-28(40-4)18-14-25/h6-7,10-19,23H,5,8-9,20-22H2,1-4H3,(H,34,38)(H,35,36)
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| InChIKey |
XLRIIEAWDFFETH-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