General Information of the Compound
| Compound ID |
CP0096791
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(2-methylpropyl)thiourea
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| Structure |
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| Formula |
C20H30N4O2S
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| Molecular Weight |
390.553
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| Canonical SMILES |
COc1ccc(cc1OC)N(CC(C)C)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C20H30N4O2S/c1-15(2)13-24(17-7-8-18(25-4)19(11-17)26-5)20(27)22-9-6-10-23-14-21-12-16(23)3/h7-8,11-12,14-15H,6,9-10,13H2,1-5H3,(H,22,27)
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| InChIKey |
RROFSPVRRANQAO-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