General Information of the Compound
| Compound ID |
CP0258508
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| Compound Name |
1-benzyl-2-cyano-3-isopropyl-1-(3-(phenylethynyl)benzyl)guanidine
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| Structure |
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| Formula |
C27H26N4
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| Molecular Weight |
406.533
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| Canonical SMILES |
CC(C)NC(=NC#N)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C27H26N4/c1-22(2)30-27(29-21-28)31(19-25-12-7-4-8-13-25)20-26-15-9-14-24(18-26)17-16-23-10-5-3-6-11-23/h3-15,18,22H,19-20H2,1-2H3,(H,29,30)
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| InChIKey |
YWAMFHBGNIULHT-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