General Information of the Compound
| Compound ID |
CP0497631
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| Compound Name |
US9428503, 55
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n([C@H]2CCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
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| InChI |
InChI=1S/C28H33N5O3/c1-31-25-18-29-24-8-6-20(16-23(24)27(25)33(28(31)34)22-10-15-35-19-22)21-7-9-26(30-17-21)36-14-5-13-32-11-3-2-4-12-32/h6-9,16-18,22H,2-5,10-15,19H2,1H3/t22-/m0/s1
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| InChIKey |
DAFNHYUSSJGHDH-QFIPXVFZSA-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