General Information of the Compound
| Compound ID |
CP0391055
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| Compound Name |
1-(1,1-dioxothiazinan-2-yl)-N-[(3-fluorophenyl)methyl]-4-hydroxyisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C21H20FN3O4S
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| Molecular Weight |
429.473
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| Canonical SMILES |
Oc1c(nc(N2CCCCS2(=O)=O)c2ccccc12)C(=O)NCc1cccc(F)c1
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| InChI |
InChI=1S/C21H20FN3O4S/c22-15-7-5-6-14(12-15)13-23-21(27)18-19(26)16-8-1-2-9-17(16)20(24-18)25-10-3-4-11-30(25,28)29/h1-2,5-9,12,26H,3-4,10-11,13H2,(H,23,27)
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| InChIKey |
PQNCAUDNKBPRMY-UHFFFAOYSA-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