General Information of the Compound
| Compound ID |
CP0474994
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| Compound Name |
US9428503, 14
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n([C@@H]2C[C@H](O)C2)c1=O)-c1ccc(OCCCN2CCC2)nc1
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| InChI |
InChI=1S/C26H29N5O3/c1-29-23-16-27-22-6-4-17(12-21(22)25(23)31(26(29)33)19-13-20(32)14-19)18-5-7-24(28-15-18)34-11-3-10-30-8-2-9-30/h4-7,12,15-16,19-20,32H,2-3,8-11,13-14H2,1H3/t19-,20+
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| InChIKey |
PIGDKCHEKYYPIG-BGYRXZFFSA-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