General Information of the Compound
| Compound ID |
CP0439328
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| Compound Name |
3-(benzo[d]thiazol-2-yl)-1-isopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
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| Structure |
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| Formula |
C18H18N6O2S
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| Molecular Weight |
382.449
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| Canonical SMILES |
CC(C)CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C18H18N6O2S/c1-10(2)8-9-24-15-13(17(25)23(3)18(26)21-15)20-14(22-24)16-19-11-6-4-5-7-12(11)27-16/h4-7,10H,8-9H2,1-3H3
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| InChIKey |
MYDWOGMGSXXIBZ-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