General Information of the Compound
| Compound ID |
CP0963737
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| Compound Name |
4-Benzo[1,3]dioxol-5-ylmethyl-2-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-2H-1lambda'6'-benzo[1,2,4]thiadiazin-3-one
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| Structure |
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| Formula |
C23H20N2O7S
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| Molecular Weight |
468.487
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| Canonical SMILES |
COc1ccc(N2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1OC
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| InChI |
InChI=1S/C23H20N2O7S/c1-29-18-10-8-16(12-20(18)30-2)25-23(26)24(17-5-3-4-6-22(17)33(25,27)28)13-15-7-9-19-21(11-15)32-14-31-19/h3-12H,13-14H2,1-2H3
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| InChIKey |
IUERFEOXVHVFER-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