General Information of the Compound
| Compound ID |
CP0519453
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| Compound Name |
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C17H18N4OS2
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| Molecular Weight |
358.492
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccs1
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| InChI |
InChI=1S/C17H18N4OS2/c18-16(22)12-9-20-17(21-10-3-1-5-19-8-10)11-7-14(24-15(11)12)13-4-2-6-23-13/h2,4,6-7,9-10,19H,1,3,5,8H2,(H2,18,22)(H,20,21)/t10-/m0/s1
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| InChIKey |
HUOVTXKPBCLDHL-JTQLQIEISA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00865, Serine/threonine-protein kinase Chk1