General Information of the Compound
| Compound ID |
CP0401009
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| Compound Name |
3-(benzo[d]thiazol-2-yl)-1-(4-fluorobenzyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
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| Structure |
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| Formula |
C20H13FN6O2S
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| Molecular Weight |
420.429
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| Canonical SMILES |
Cn1c(=O)nc2n(Cc3ccc(F)cc3)nc(nc2c1=O)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H13FN6O2S/c1-26-19(28)15-17(24-20(26)29)27(10-11-6-8-12(21)9-7-11)25-16(23-15)18-22-13-4-2-3-5-14(13)30-18/h2-9H,10H2,1H3
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| InChIKey |
PBURZDPQGJWXSM-UHFFFAOYSA-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