General Information of the Compound
| Compound ID |
CP0421637
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| Compound Name |
1-cyano-3-[2-(1H-imidazol-5-yl)ethyl]-2-(3-phenylpropyl)guanidine
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| Structure |
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| Formula |
C16H20N6
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| Molecular Weight |
296.378
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| Canonical SMILES |
N#CNC(NCCCc1ccccc1)=NCCc1cnc[nH]1
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| InChI |
InChI=1S/C16H20N6/c17-12-21-16(20-10-8-15-11-18-13-22-15)19-9-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10H2,(H,18,22)(H2,19,20,21)
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| InChIKey |
CGWIQIDEPCKACR-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