General Information of the Compound
| Compound ID |
CP0430374
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| Compound Name |
1-cyano-3-[2-(1H-imidazol-5-yl)ethyl]-2-(4-phenylbutyl)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(NCCCCc1ccccc1)=NCCc1cnc[nH]1
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| InChI |
InChI=1S/C17H22N6/c18-13-22-17(21-11-9-16-12-19-14-23-16)20-10-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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| InChIKey |
VCFBARYQQKOTIN-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