General Information of the Compound
| Compound ID |
CP0139038
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| Compound Name |
2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol
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| Structure |
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| Formula |
C16H15N7O
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| Molecular Weight |
321.344
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| Canonical SMILES |
OCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C16H15N7O/c24-7-6-18-14-9-19-15-16(20-14)23(22-21-15)10-11-3-4-13-12(8-11)2-1-5-17-13/h1-5,8-9,24H,6-7,10H2,(H,18,20)
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| InChIKey |
HBZSJPZNEMQXCF-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