General Information of the Compound
| Compound ID |
CP0240146
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| Compound Name |
1-(1-benzylpiperidin-4-yl)-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCN(Cc2ccccc2)CC1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C28H37N5O3/c1-22-19-29-21-32(22)15-7-14-30-28(34)33(25-10-11-26(35-2)27(18-25)36-3)24-12-16-31(17-13-24)20-23-8-5-4-6-9-23/h4-6,8-11,18-19,21,24H,7,12-17,20H2,1-3H3,(H,30,34)
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| InChIKey |
QBCKKMKQVCOUPK-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