General Information of the Compound
| Compound ID |
CP0093703
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| Compound Name |
US9156831, 7
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| Structure |
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| Formula |
C22H31N9O3
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| Molecular Weight |
469.55
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| Canonical SMILES |
Cn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)C(C)(C)O
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| InChI |
InChI=1S/C22H31N9O3/c1-21(2,3)19-28-27-18(34-19)14-15(23)24-11-13(25-14)17-26-16(29-30(17)6)12-7-9-31(10-8-12)20(32)22(4,5)33/h11-12,33H,7-10H2,1-6H3,(H2,23,24)
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| InChIKey |
ORHNDZXUGUCSGY-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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01934, Serine/threonine-protein kinase ATR