General Information of the Compound
| Compound ID |
CP0330750
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-propan-2-ylthiourea
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| Structure |
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| Formula |
C19H28N4O2S
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| Molecular Weight |
376.526
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| Canonical SMILES |
COc1ccc(cc1OC)N(C(C)C)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C19H28N4O2S/c1-14(2)23(16-7-8-17(24-4)18(11-16)25-5)19(26)21-9-6-10-22-13-20-12-15(22)3/h7-8,11-14H,6,9-10H2,1-5H3,(H,21,26)
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| InChIKey |
UTKVFQVLGCOVFT-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