General Information of the Compound
| Compound ID |
CP0066368
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| Compound Name |
3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
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| Structure |
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| Formula |
C23H16N6
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| Molecular Weight |
376.423
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| Canonical SMILES |
C[C@H](c1nnc2ccc(nn12)-c1cccc(c1)C#N)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C23H16N6/c1-15(17-7-8-20-19(13-17)6-3-11-25-20)23-27-26-22-10-9-21(28-29(22)23)18-5-2-4-16(12-18)14-24/h2-13,15H,1H3/t15-/m0/s1
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| InChIKey |
QRWHTFXNHZLJAL-HNNXBMFYSA-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