General Information of the Compound
| Compound ID |
CP0005823
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| Compound Name |
CHEMBL4873263
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| Formula |
C20H15F2N5O
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| Molecular Weight |
379.37
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| Canonical SMILES |
FC(F)c1cncc(c1)-c1ccc2ncc3nnc([C@@H]4[C@H]5COC[C@@H]45)n3c2c1
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| InChI |
InChI=1S/C20H15F2N5O/c21-19(22)12-3-11(5-23-6-12)10-1-2-15-16(4-10)27-17(7-24-15)25-26-20(27)18-13-8-28-9-14(13)18/h1-7,13-14,18-19H,8-9H2/t13-,14+,18+
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| InChIKey |
YZGKSARXIQYKAW-UOIKSKOESA-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: PT07381, Alpha-1-antitrypsin-related protein
Protein ID: PT00955, DNA-dependent protein kinase catalytic subunit
Protein ID: PT01902, Serine-protein kinase ATM