General Information of the Compound
| Compound ID |
CP0334865
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| Compound Name |
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C23H23N9
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| Molecular Weight |
425.5
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| Canonical SMILES |
C(Cn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1)N1CCCC1
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| InChI |
InChI=1S/C23H23N9/c1-2-9-30(8-1)10-11-31-16-19(13-26-31)21-14-25-22-23(27-21)32(29-28-22)15-17-5-6-20-18(12-17)4-3-7-24-20/h3-7,12-14,16H,1-2,8-11,15H2
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| InChIKey |
TZEHZNXZLKHMQY-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