General Information of the Compound
| Compound ID |
CP0131599
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| Compound Name |
N-tert-butyl-2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C20H22N6O2
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| Molecular Weight |
378.436
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| Canonical SMILES |
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(CO)ccc12
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| InChI |
InChI=1S/C20H22N6O2/c1-20(2,3)24-19(28)13-8-21-18-17(13)23-14(9-22-18)16-12-7-11(10-27)5-6-15(12)26(4)25-16/h5-9,27H,10H2,1-4H3,(H,21,22)(H,24,28)
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| InChIKey |
XZSAELDLIRYMCC-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