General Information of the Compound
| Compound ID |
CP0457002
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| Compound Name |
US9428503, 39
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| Structure |
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| Formula |
C27H31N5O3
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| Molecular Weight |
473.577
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCC2)nc1
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| InChI |
InChI=1S/C27H31N5O3/c1-30-24-18-28-23-6-4-19(16-22(23)26(24)32(27(30)33)21-8-14-34-15-9-21)20-5-7-25(29-17-20)35-13-3-12-31-10-2-11-31/h4-7,16-18,21H,2-3,8-15H2,1H3
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| InChIKey |
QEJSKPORGMNWPI-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