General Information of the Compound
| Compound ID |
CP0534744
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| Compound Name |
4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(sc12)-c1ccccc1
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| InChI |
InChI=1S/C21H24N4O2S/c22-20(27)15-12-24-21(25-17-7-4-9-23-16(17)8-10-26)14-11-18(28-19(14)15)13-5-2-1-3-6-13/h1-3,5-6,11-12,16-17,23,26H,4,7-10H2,(H2,22,27)(H,24,25)/t16-,17+/m1/s1
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| InChIKey |
WDHIFVVCVCTFQQ-SJORKVTESA-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