General Information of the Compound
| Compound ID |
CP0546896
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| Compound Name |
(2S)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H19FN4OS
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| Molecular Weight |
418.497
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| Canonical SMILES |
Fc1ccc(cc1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C23H19FN4OS/c24-17-8-6-15(7-9-17)20-14-30-22(26-20)21-5-2-12-28(21)23(29)27-19-4-1-3-16-13-25-11-10-18(16)19/h1,3-4,6-11,13-14,21H,2,5,12H2,(H,27,29)/t21-/m0/s1
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| InChIKey |
ZYAXGEGPABHQEK-NRFANRHFSA-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