General Information of the Compound
| Compound ID |
CP0338158
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| Compound Name |
6-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C18H16N8
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| Molecular Weight |
344.382
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| Canonical SMILES |
C[C@@H](c1c[nH]c2ncccc12)c1nnc2ccc(nn12)-c1cnn(C)c1
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| InChI |
InChI=1S/C18H16N8/c1-11(14-9-20-17-13(14)4-3-7-19-17)18-23-22-16-6-5-15(24-26(16)18)12-8-21-25(2)10-12/h3-11H,1-2H3,(H,19,20)/t11-/m0/s1
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| InChIKey |
NDEVWCAZDRRLOZ-NSHDSACASA-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