General Information of the Compound
| Compound ID |
CP0137168
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| Compound Name |
2-(6-fluoro-1-methylindazol-3-yl)-N-(4-methylpiperidin-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCNCC4)c3n2)c2ccc(F)cc12
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| InChI |
InChI=1S/C21H22FN7O/c1-21(5-7-23-8-6-21)27-20(30)14-10-24-19-18(14)26-15(11-25-19)17-13-4-3-12(22)9-16(13)29(2)28-17/h3-4,9-11,23H,5-8H2,1-2H3,(H,24,25)(H,27,30)
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| InChIKey |
VSAIMZAFUWHQMD-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