General Information of the Compound
| Compound ID |
CP0563148
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| Compound Name |
US9428503, CN102399218A: Compound 60
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cnn(CCCO)c1
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| InChI |
InChI=1S/C22H25N5O3/c1-25-20-13-23-19-4-3-15(16-12-24-26(14-16)7-2-8-28)11-18(19)21(20)27(22(25)29)17-5-9-30-10-6-17/h3-4,11-14,17,28H,2,5-10H2,1H3
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| InChIKey |
VJZDCKGIOGXFJF-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