General Information of the Compound
| Compound ID |
CP0413611
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| Compound Name |
US9428503, CN102399218A: Compound 62
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| Structure |
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| Formula |
C21H17N5O
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| Molecular Weight |
355.401
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n(C2CC2)c1=O)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C21H17N5O/c1-25-18-11-23-17-5-2-12(14-8-13-6-7-22-20(13)24-10-14)9-16(17)19(18)26(21(25)27)15-3-4-15/h2,5-11,15H,3-4H2,1H3,(H,22,24)
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| InChIKey |
NGJICJQCRNGWDQ-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