General Information of the Compound
| Compound ID |
CP0519451
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| Compound Name |
2-(1-benzylpyrazol-4-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C23H24N6OS
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| Molecular Weight |
432.553
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C23H24N6OS/c24-22(30)19-12-26-23(28-17-7-4-8-25-11-17)18-9-20(31-21(18)19)16-10-27-29(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14,17,25H,4,7-8,11,13H2,(H2,24,30)(H,26,28)/t17-/m0/s1
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| InChIKey |
GELAGPPHKOHLGO-KRWDZBQOSA-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