General Information of the Compound
| Compound ID |
CP0406927
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| Compound Name |
US9428503, 65
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| Structure |
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| Formula |
C30H38N6O2
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| Molecular Weight |
514.674
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| Canonical SMILES |
CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(NCCCN3CCCCC3)nc2)n(C)c1=O
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| InChI |
InChI=1S/C30H38N6O2/c1-34-27-20-32-26-11-7-21(17-25(26)29(27)36(30(34)37)23-9-10-24(18-23)38-2)22-8-12-28(33-19-22)31-13-6-16-35-14-4-3-5-15-35/h7-8,11-12,17,19-20,23-24H,3-6,9-10,13-16,18H2,1-2H3,(H,31,33)/t23-,24-/m0/s1
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| InChIKey |
ZFDYHFKJDSEKAS-ZEQRLZLVSA-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