General Information of the Compound
| Compound ID |
CP0524799
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| Compound Name |
N-[[(2S,4R)-4-methoxy-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C28H28N4O3S
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| Molecular Weight |
500.624
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| Canonical SMILES |
CO[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1sc(C)nc1-c1ccccc1
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| InChI |
InChI=1S/C28H28N4O3S/c1-18-31-25(20-8-4-3-5-9-20)26(36-18)28(34)32-15-13-22(35-2)16-21(32)17-30-27(33)23-12-6-10-19-11-7-14-29-24(19)23/h3-12,14,21-22H,13,15-17H2,1-2H3,(H,30,33)/t21-,22+/m0/s1
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| InChIKey |
WDUTYWDOASCDDE-FCHUYYIVSA-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