General Information of the Compound
| Compound ID |
CP0866598
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| Compound Name |
2-Cyano-1-[3-(2-methyl-1H-imidazol-4-yl)propyl]-3-[2-(phenylthio)ethyl]guanidine
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| Structure |
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| Formula |
C17H22N6S
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| Molecular Weight |
342.472
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| Canonical SMILES |
Cc1nc(CCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1
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| InChI |
InChI=1S/C17H22N6S/c1-14-21-12-15(23-14)6-5-9-19-17(22-13-18)20-10-11-24-16-7-3-2-4-8-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,21,23)(H2,19,20,22)
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| InChIKey |
GXMHMYPDQCEMKW-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