General Information of the Compound
| Compound ID |
CP0389189
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| Compound Name |
3-cyano-N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H13F2N5O3S
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| Molecular Weight |
465.441
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F
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| InChI |
InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)
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| InChIKey |
NZJCXRPMZJGVCC-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
Protein ID: PT01223, Aurora kinase B
Protein ID: PT02330, Dual specificity mitogen-activated protein kinase kinase 5
Protein ID: PT01059, Mitogen-activated protein kinase kinase kinase 20
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Protein ID: PT01755, Tyrosine-protein kinase Srms