General Information of the Compound
| Compound ID |
CP0424065
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| Compound Name |
N-(6-fluoro-1-oxo-2H-isoquinolin-7-yl)-5-[(3S)-3-hydroxypiperidin-1-yl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C18H18FN3O4S2
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| Molecular Weight |
423.491
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| Canonical SMILES |
O[C@H]1CCCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F
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| InChI |
InChI=1S/C18H18FN3O4S2/c19-14-8-11-5-6-20-18(24)13(11)9-15(14)21-28(25,26)17-4-3-16(27-17)22-7-1-2-12(23)10-22/h3-6,8-9,12,21,23H,1-2,7,10H2,(H,20,24)/t12-/m0/s1
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| InChIKey |
VUWDOEHVLVUCCY-LBPRGKRZSA-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