General Information of the Compound
| Compound ID |
CP0469492
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| Compound Name |
2-[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanyl-N-methylacetamide
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| Structure |
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| Formula |
C20H19N5O2S
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| Molecular Weight |
393.472
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| Canonical SMILES |
CNC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
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| InChI |
InChI=1S/C20H19N5O2S/c1-24-17(26)11-28-20-16(9-22)18(15(8-21)19(23)25-20)13-4-6-14(7-5-13)27-10-12-2-3-12/h4-7,12H,2-3,10-11H2,1H3,(H2,23,25)(H,24,26)
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| InChIKey |
SITWLMHTJSBMSX-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