General Information of the Compound
| Compound ID |
CP0488308
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| Compound Name |
2-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-6-fluoro-3-(3-fluoropropylsulfonylamino)benzamide
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| Structure |
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| Formula |
C19H18ClF2N5O3S
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| Molecular Weight |
469.901
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| Canonical SMILES |
FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl
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| InChI |
InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26)
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| InChIKey |
VTGGMWJPSUGDEJ-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