General Information of the Compound
| Compound ID |
CP0456233
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| Compound Name |
N-(pyridin-2-ylmethyl)-4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)aniline
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| Structure |
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| Formula |
C18H15N3O4S2
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| Molecular Weight |
401.469
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| Canonical SMILES |
O=S1(=O)N(c2ccc(NCc3ccccn3)cc2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C18H15N3O4S2/c22-26(23)17-6-1-2-7-18(17)27(24,25)21(26)16-10-8-14(9-11-16)20-13-15-5-3-4-12-19-15/h1-12,20H,13H2
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| InChIKey |
KYHPUGUHKOVFGX-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