General Information of the Compound
| Compound ID |
CP0480890
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| Compound Name |
US9428503, 27
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| Formula |
C28H32FN5O3
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| Molecular Weight |
505.594
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| Canonical SMILES |
CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
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| InChI |
InChI=1S/C28H32FN5O3/c1-32-25-17-30-24-15-23(29)21(14-22(24)27(25)34(28(32)35)19-12-20(13-19)36-2)18-6-7-26(31-16-18)37-11-5-10-33-8-3-4-9-33/h6-7,14-17,19-20H,3-5,8-13H2,1-2H3/t19-,20+
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| InChIKey |
UZJSWYAKTSRJGA-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