General Information of the Compound
| Compound ID |
CP0489522
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| Compound Name |
1-[3-(5-methylimidazol-1-yl)propyl]-3-quinoxalin-6-ylthiourea
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| Structure |
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| Formula |
C16H18N6S
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| Molecular Weight |
326.429
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2nccnc2c1
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| InChI |
InChI=1S/C16H18N6S/c1-12-10-17-11-22(12)8-2-5-20-16(23)21-13-3-4-14-15(9-13)19-7-6-18-14/h3-4,6-7,9-11H,2,5,8H2,1H3,(H2,20,21,23)
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| InChIKey |
MVSPPTFCLNLEHI-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