General Information of the Compound
| Compound ID |
CP0315960
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| Compound Name |
2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol
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| Structure |
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| Formula |
C21H20N8O
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| Molecular Weight |
400.446
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| Canonical SMILES |
CC(C)(O)Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C21H20N8O/c1-21(2,30)13-28-12-16(9-24-28)18-10-23-19-20(25-18)29(27-26-19)11-14-5-6-17-15(8-14)4-3-7-22-17/h3-10,12,30H,11,13H2,1-2H3
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| InChIKey |
HTPDWACPZMDRRQ-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