General Information of the Compound
| Compound ID |
CP0330751
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| Compound Name |
1-benzyl-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
COc1ccc(cc1OC)N(Cc1ccccc1)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C23H28N4O2S/c1-18-15-24-17-26(18)13-7-12-25-23(30)27(16-19-8-5-4-6-9-19)20-10-11-21(28-2)22(14-20)29-3/h4-6,8-11,14-15,17H,7,12-13,16H2,1-3H3,(H,25,30)
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| InChIKey |
MFAMLWZNPDJGKR-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