General Information of the Compound
| Compound ID |
CP0413610
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| Compound Name |
US9428503, CN102372711A: Compound 1
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCNCC4)c3c2c1
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| InChI |
InChI=1S/C22H23N5O2/c1-26-19-13-24-18-5-3-14(15-4-6-20(29-2)25-12-15)11-17(18)21(19)27(22(26)28)16-7-9-23-10-8-16/h3-6,11-13,16,23H,7-10H2,1-2H3
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| InChIKey |
KQZZSMVSVVANOL-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