General Information of the Compound
| Compound ID |
CP0214767
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| Compound Name |
4-[[(2S,3S,6R)-2,6-dimethylpiperidin-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 |
C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1
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| InChI |
InChI=1S/C21H24N4OS/c1-12-8-9-17(13(2)24-12)25-21-15-10-18(14-6-4-3-5-7-14)27-19(15)16(11-23-21)20(22)26/h3-7,10-13,17,24H,8-9H2,1-2H3,(H2,22,26)(H,23,25)/t12-,13+,17+/m1/s1
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| InChIKey |
RBQJVPQXONDMAS-IGCXYCKISA-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