General Information of the Compound
| Compound ID |
CP0514770
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| Compound Name |
N-methyl-3-[1-(4-methylphenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]propan-1-amine
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| Structure |
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| Formula |
C18H23N3O2S
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| Molecular Weight |
345.468
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| Canonical SMILES |
CNCCCN1Cc2ccccc2N(c2ccc(C)cc2)S1(=O)=O
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| InChI |
InChI=1S/C18H23N3O2S/c1-15-8-10-17(11-9-15)21-18-7-4-3-6-16(18)14-20(24(21,22)23)13-5-12-19-2/h3-4,6-11,19H,5,12-14H2,1-2H3
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| InChIKey |
VXBYAINQGAYGQT-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