General Information of the Compound
| Compound ID |
CP0557730
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1-phenylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCN(CC1)c1ccccc1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C27H35N5O3/c1-21-19-28-20-31(21)15-7-14-29-27(33)32(24-10-11-25(34-2)26(18-24)35-3)23-12-16-30(17-13-23)22-8-5-4-6-9-22/h4-6,8-11,18-20,23H,7,12-17H2,1-3H3,(H,29,33)
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| InChIKey |
DSGPDKAEAQIJHT-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