General Information of the Compound
| Compound ID |
CP0421641
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| Compound Name |
1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-(2-methylpropyl)guanidine
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| Structure |
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| Formula |
C13H22N6
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| Molecular Weight |
262.361
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| Canonical SMILES |
CC(C)CNC(NC#N)=NCCCCc1cnc[nH]1
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| InChI |
InChI=1S/C13H22N6/c1-11(2)7-17-13(18-9-14)16-6-4-3-5-12-8-15-10-19-12/h8,10-11H,3-7H2,1-2H3,(H,15,19)(H2,16,17,18)
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| InChIKey |
MCSIYZQWCBJHGE-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