General Information of the Compound
| Compound ID |
CP0508657
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| Compound Name |
1-isoquinolin-3-yl-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C17H19N5S
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| Molecular Weight |
325.441
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1cc2ccccc2cn1
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| InChI |
InChI=1S/C17H19N5S/c1-13-10-18-12-22(13)8-4-7-19-17(23)21-16-9-14-5-2-3-6-15(14)11-20-16/h2-3,5-6,9-12H,4,7-8H2,1H3,(H2,19,20,21,23)
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| InChIKey |
ICZGKYJJEJOBSN-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