General Information of the Compound
| Compound ID |
CP0365713
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| Compound Name |
1-cyclobutyl-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C20H28N4O2S
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| Molecular Weight |
388.537
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCC1)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C20H28N4O2S/c1-15-13-21-14-23(15)11-5-10-22-20(27)24(16-6-4-7-16)17-8-9-18(25-2)19(12-17)26-3/h8-9,12-14,16H,4-7,10-11H2,1-3H3,(H,22,27)
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| InChIKey |
RECUQIMHIORNDI-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