General Information of the Compound
| Compound ID |
CP0482361
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| Compound Name |
2-[6-[(3-oxo-1,2-benzothiazol-2-yl)amino]hexylamino]-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C20H22N4O2S2
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| Molecular Weight |
414.556
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| Canonical SMILES |
O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
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| InChI |
InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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| InChIKey |
IOEREALBZOBQRI-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