General Information of the Compound
| Compound ID |
CP0518461
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| Compound Name |
US9428503, CN102372711A: Compound 4
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| Structure |
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| Formula |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
COC(=O)N1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(OC)nc2)n(C)c1=O
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| InChI |
InChI=1S/C24H25N5O4/c1-27-20-14-25-19-6-4-15(16-5-7-21(32-2)26-13-16)12-18(19)22(20)29(23(27)30)17-8-10-28(11-9-17)24(31)33-3/h4-7,12-14,17H,8-11H2,1-3H3
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| InChIKey |
NRCHETGDZOLUIQ-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