General Information of the Compound
| Compound ID |
CP0481630
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| Compound Name |
5-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C17H10N10
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| Molecular Weight |
354.337
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| Canonical SMILES |
N#Cc1ccc(cn1)-c1cnc2nnn(Cc3n[nH]c4ncccc34)c2n1
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| InChI |
InChI=1S/C17H10N10/c18-6-11-4-3-10(7-20-11)13-8-21-16-17(22-13)27(26-25-16)9-14-12-2-1-5-19-15(12)24-23-14/h1-5,7-8H,9H2,(H,19,23,24)
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| InChIKey |
YGJRLRBTLKGBSH-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