General Information of the Compound
| Compound ID |
CP0101088
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| Compound Name |
4-[3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
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| Structure |
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| Formula |
C21H15N7
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| Molecular Weight |
365.4
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| Canonical SMILES |
C[C@@H](c1c[nH]c2ncccc12)c1nnc2ccc(nn12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H15N7/c1-13(17-12-24-20-16(17)3-2-10-23-20)21-26-25-19-9-8-18(27-28(19)21)15-6-4-14(11-22)5-7-15/h2-10,12-13H,1H3,(H,23,24)/t13-/m0/s1
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| InChIKey |
ZZPRSODDIBGQOO-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