General Information of the Compound
| Compound ID |
CP0236702
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
COc1ccc(cc1OC)N(Cc1cccnc1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C22H27N5O3/c1-17-13-24-16-26(17)11-5-10-25-22(28)27(15-18-6-4-9-23-14-18)19-7-8-20(29-2)21(12-19)30-3/h4,6-9,12-14,16H,5,10-11,15H2,1-3H3,(H,25,28)
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| InChIKey |
BIFQFKUVTBZBTA-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