General Information of the Compound
| Compound ID |
CP0451374
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| Compound Name |
US9428503, 7
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(c3c2c1)C1(C)CCOCC1
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| InChI |
InChI=1S/C27H33N5O3/c1-27(10-14-34-15-11-27)32-25-21-16-19(6-8-22(21)28-18-23(25)31(4)26(32)33)20-7-9-24(29-17-20)35-13-5-12-30(2)3/h6-9,16-18H,5,10-15H2,1-4H3
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| InChIKey |
SIKMYPMDQGCEPL-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