General Information of the Compound
| Compound ID |
CP0557731
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| Compound Name |
1-(3,4-dimethoxyphenyl)-1-ethyl-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C18H26N4O2S
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| Molecular Weight |
362.499
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| Canonical SMILES |
CCN(C(=S)NCCCn1cncc1C)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C18H26N4O2S/c1-5-22(15-7-8-16(23-3)17(11-15)24-4)18(25)20-9-6-10-21-13-19-12-14(21)2/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,25)
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| InChIKey |
NWNYHANFEKHZKU-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