General Information of the Compound
| Compound ID |
CP0495550
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| Compound Name |
US9428503, CN102399218A: Compound 114
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| Structure |
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| Formula |
C23H23N5O4S
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| Molecular Weight |
465.535
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1ccc2ncc3n(C)c(=O)n(C4CC4)c3c2c1
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| InChI |
InChI=1S/C23H23N5O4S/c1-27-20-12-24-18-8-3-13(9-17(18)21(20)28(23(27)29)15-4-5-15)14-10-19(22(32-2)25-11-14)26-33(30,31)16-6-7-16/h3,8-12,15-16,26H,4-7H2,1-2H3
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| InChIKey |
DYJRBYYBKYZZGT-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR