General Information of the Compound
| Compound ID |
CP0543081
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| Compound Name |
4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C21H24N4OS
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| Molecular Weight |
380.517
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| Canonical SMILES |
CCN([C@H]1CCCNC1)c1ncc(C(N)=O)c2sc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1
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| InChIKey |
WRRULJLHHSXDFQ-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00865, Serine/threonine-protein kinase Chk1