General Information of the Compound
| Compound ID |
CP0849403
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| Compound Name |
2-Cyano-1-[4-(5-methyl-1H-imidazol-4-yl)butyl]-3-[2-(phenylthio)ethyl]guanidine
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| Structure |
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| Formula |
C18H24N6S
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| Molecular Weight |
356.499
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| Canonical SMILES |
Cc1[nH]cnc1CCCCN/C(=N\C#N)NCCSc1ccccc1
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| InChI |
InChI=1S/C18H24N6S/c1-15-17(24-14-23-15)9-5-6-10-20-18(22-13-19)21-11-12-25-16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,23,24)(H2,20,21,22)
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| InChIKey |
XNTDAAJNOPKYFY-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