General Information of the Compound
| Compound ID |
CP0522035
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| Compound Name |
N-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C20H20N6O3S3
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| Molecular Weight |
488.62
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H20N6O3S3/c27-18(8-9-21-32(28,29)17-7-3-5-15-19(17)24-31-23-15)25-10-12-26(13-11-25)20-22-14-4-1-2-6-16(14)30-20/h1-7,21H,8-13H2
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| InChIKey |
QANWYDFPFWNIPA-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