General Information of the Compound
| Compound ID |
CP0057267
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| Compound Name |
methyl 6-[[5-cyano-6-[(3R)-pyrrolidin-3-yl]oxypyrazin-2-yl]amino]-4-methylsulfanylpyridine-3-carboxylate
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| Structure |
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| Formula |
C17H18N6O3S
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| Molecular Weight |
386.437
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| Canonical SMILES |
COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1SC
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| InChI |
InChI=1S/C17H18N6O3S/c1-25-17(24)11-8-21-14(5-13(11)27-2)22-15-9-20-12(6-18)16(23-15)26-10-3-4-19-7-10/h5,8-10,19H,3-4,7H2,1-2H3,(H,21,22,23)/t10-/m1/s1
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| InChIKey |
VRVXHSKCNQPCRZ-SNVBAGLBSA-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