General Information of the Compound
| Compound ID |
CP0407302
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| Compound Name |
1-(2,3-dihydro-1-benzofuran-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C16H20N4OS
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| Molecular Weight |
316.43
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2CCOc2c1
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| InChI |
InChI=1S/C16H20N4OS/c1-12-10-17-11-20(12)7-2-6-18-16(22)19-14-4-3-13-5-8-21-15(13)9-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19,22)
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| InChIKey |
IUAMQYPSXGNDDJ-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