General Information of the Compound
| Compound ID |
CP0469490
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| Compound Name |
2-amino-4-[4-(cyclopropylmethoxy)phenyl]-6-(1H-imidazol-5-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C21H18N6OS
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| Molecular Weight |
402.483
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| Canonical SMILES |
Nc1nc(SCc2cnc[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
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| InChI |
InChI=1S/C21H18N6OS/c22-7-17-19(14-3-5-16(6-4-14)28-10-13-1-2-13)18(8-23)21(27-20(17)24)29-11-15-9-25-12-26-15/h3-6,9,12-13H,1-2,10-11H2,(H2,24,27)(H,25,26)
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| InChIKey |
BXCWJZPVNJEDJN-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