General Information of the Compound
| Compound ID |
CP0066369
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| Compound Name |
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
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| Structure |
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| Formula |
C20H18N8O
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| Molecular Weight |
386.419
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| Canonical SMILES |
C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
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| InChI |
InChI=1S/C20H18N8O/c1-13(14-4-5-17-15(9-14)3-2-6-21-17)28-20-19(25-26-28)22-11-18(24-20)16-10-23-27(12-16)7-8-29/h2-6,9-13,29H,7-8H2,1H3/t13-/m0/s1
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| InChIKey |
NETRMZMGTHLSBM-ZDUSSCGKSA-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