General Information of the Compound
| Compound ID |
CP0138682
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| Compound Name |
2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C22H25FN6O4S
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| Molecular Weight |
488.545
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| Canonical SMILES |
CC(C)(CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
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| InChI |
InChI=1S/C22H25FN6O4S/c1-22(2,12-30)27-21(31)15-10-24-20-19(15)26-16(11-25-20)18-14-6-5-13(23)9-17(14)29(28-18)7-4-8-34(3,32)33/h5-6,9-11,30H,4,7-8,12H2,1-3H3,(H,24,25)(H,27,31)
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| InChIKey |
XCYCRDIMKXBEOA-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