General Information of the Compound
| Compound ID |
CP0235599
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| Compound Name |
CHEMBL4171264
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| Formula |
C25H27FN4O3
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| Molecular Weight |
450.514
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| Canonical SMILES |
COCc1ccc(cn1)-c1cc2c3n([C@H]4CC[C@@H](CC4)OC)c(=O)n(C)c3cnc2cc1F
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| InChI |
InChI=1S/C25H27FN4O3/c1-29-23-13-28-22-11-21(26)19(15-4-5-16(14-32-2)27-12-15)10-20(22)24(23)30(25(29)31)17-6-8-18(33-3)9-7-17/h4-5,10-13,17-18H,6-9,14H2,1-3H3/t17-,18-
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| InChIKey |
WASVGWVGIQEMHX-IYARVYRRSA-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR