General Information of the Compound
| Compound ID |
CP0014320
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| Compound Name |
CHEMBL4871998
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| Formula |
C21H17F2N5
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| Molecular Weight |
377.398
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| Canonical SMILES |
FC(F)c1cncc(c1)-c1ccc2ncc3nnc([C@@H]4[C@H]5CCC[C@@H]45)n3c2c1
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| InChI |
InChI=1S/C21H17F2N5/c22-20(23)13-6-12(8-24-9-13)11-4-5-16-17(7-11)28-18(10-25-16)26-27-21(28)19-14-2-1-3-15(14)19/h4-10,14-15,19-20H,1-3H2/t14-,15+,19+
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| InChIKey |
MQXVMMLHAWPDPI-QWHZDKJVSA-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