General Information of the Compound
| Compound ID |
CP0519827
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1,3-thiazol-2-yl)urea
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| Structure |
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| Formula |
C19H23N5O3S
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| Molecular Weight |
401.492
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| Canonical SMILES |
COc1ccc(cc1OC)N(C(=O)NCCCn1cncc1C)c1nccs1
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| InChI |
InChI=1S/C19H23N5O3S/c1-14-12-20-13-23(14)9-4-7-21-18(25)24(19-22-8-10-28-19)15-5-6-16(26-2)17(11-15)27-3/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,21,25)
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| InChIKey |
JIUAFPYSIJRSNB-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