General Information of the Compound
| Compound ID |
CP0074096
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| Compound Name |
14-(dimethylsulfamoylamino)-5-[1-(2-fluoroethyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
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| Structure |
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| Formula |
C21H20FN5O3S
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| Molecular Weight |
441.488
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CCF)c1
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| InChI |
InChI=1S/C21H20FN5O3S/c1-26(2)31(29,30)25-17-5-3-14-4-6-20-19(21(28)18(14)10-17)9-15(11-23-20)16-12-24-27(13-16)8-7-22/h3-6,9-13,25H,7-8H2,1-2H3
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| InChIKey |
ILICPPXYSXACBA-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