General Information of the Compound
| Compound ID |
CP0055831
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| Compound Name |
14-(dimethylsulfamoylamino)-5-[1-(2-fluoro-3-pyrrolidin-1-ylpropyl)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 |
C26H29FN6O3S
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| Molecular Weight |
524.622
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(CC(F)CN2CCCC2)c1
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| InChI |
InChI=1S/C26H29FN6O3S/c1-31(2)37(35,36)30-22-7-5-18-6-8-25-24(26(34)23(18)12-22)11-19(13-28-25)20-14-29-33(15-20)17-21(27)16-32-9-3-4-10-32/h5-8,11-15,21,30H,3-4,9-10,16-17H2,1-2H3
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| InChIKey |
OHBTXJRSBKFXCX-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