General Information of the Compound
| Compound ID |
CP0286712
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| Compound Name |
3-fluoro-N-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]azetidine-1-sulfonamide
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| Structure |
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| Formula |
C21H18FN5O3S
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| Molecular Weight |
439.472
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CC(F)C4)cc3c(=O)c2c1
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| InChI |
InChI=1S/C21H18FN5O3S/c1-26-10-15(9-24-26)14-6-19-20(23-8-14)5-3-13-2-4-17(7-18(13)21(19)28)25-31(29,30)27-11-16(22)12-27/h2-10,16,25H,11-12H2,1H3
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| InChIKey |
WZDLFQBBDQTFJF-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