General Information of the Compound
| Compound ID |
CP0475476
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| Compound Name |
1-(1-acetylpiperidin-4-yl)-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C23H33N5O4
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| Molecular Weight |
443.548
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCN(CC1)C(C)=O)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C23H33N5O4/c1-17-15-24-16-27(17)11-5-10-25-23(30)28(19-8-12-26(13-9-19)18(2)29)20-6-7-21(31-3)22(14-20)32-4/h6-7,14-16,19H,5,8-13H2,1-4H3,(H,25,30)
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| InChIKey |
VQDKHELEMLLMGG-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