General Information of the Compound
| Compound ID |
CP0554008
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| Compound Name |
1-(3,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C23H35N5O3
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| Molecular Weight |
429.565
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| Canonical SMILES |
CCN1CCC(CC1)N(C(=O)NCCCn1cncc1C)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C23H35N5O3/c1-5-26-13-9-19(10-14-26)28(20-7-8-21(30-3)22(15-20)31-4)23(29)25-11-6-12-27-17-24-16-18(27)2/h7-8,15-17,19H,5-6,9-14H2,1-4H3,(H,25,29)
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| InChIKey |
XDNAJKKQUVYBCW-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