General Information of the Compound
| Compound ID |
CP0306929
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| Compound Name |
3-Benzenesulfonyl-2-methylsulfanyl-pyrimido[2,1-a]isoquinolin-(4Z)-ylideneamine
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| Structure |
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| Formula |
C19H15N3O2S2
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| Molecular Weight |
381.482
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| Canonical SMILES |
CSc1nc2c3ccccc3ccn2c(=N)c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H15N3O2S2/c1-25-19-16(26(23,24)14-8-3-2-4-9-14)17(20)22-12-11-13-7-5-6-10-15(13)18(22)21-19/h2-12,20H,1H3
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| InChIKey |
FOEVVIXJKXZIBM-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