General Information of the Compound
| Compound ID |
CP0334864
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| Compound Name |
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C18H17N7O
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| Molecular Weight |
347.382
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| Canonical SMILES |
OC1CCN(C1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C18H17N7O/c26-14-5-7-24(11-14)16-9-20-17-18(21-16)25(23-22-17)10-12-3-4-15-13(8-12)2-1-6-19-15/h1-4,6,8-9,14,26H,5,7,10-11H2
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| InChIKey |
DSXKHNQVXUJTRO-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