General Information of the Compound
| Compound ID |
CP0428893
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| Compound Name |
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(3-phenylbutyl)guanidine
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| Structure |
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| Formula |
C19H26N6
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| Molecular Weight |
338.459
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| Canonical SMILES |
CC(CCNC(NC#N)=NCCCCc1cnc[nH]1)c1ccccc1
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| InChI |
InChI=1S/C19H26N6/c1-16(17-7-3-2-4-8-17)10-12-23-19(24-14-20)22-11-6-5-9-18-13-21-15-25-18/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,21,25)(H2,22,23,24)
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| InChIKey |
NQQWDTFCJAJWQW-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