General Information of the Compound
| Compound ID |
CP0428890
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| Compound Name |
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylethyl)guanidine
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| Structure |
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| Formula |
C17H22N6
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| Molecular Weight |
310.405
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| Canonical SMILES |
N#CNC(NCCc1ccccc1)=NCCCCc1cnc[nH]1
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| InChI |
InChI=1S/C17H22N6/c18-13-22-17(21-11-9-15-6-2-1-3-7-15)20-10-5-4-8-16-12-19-14-23-16/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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| InChIKey |
OYSPQBLWSYBOCR-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