General Information of the Compound
| Compound ID |
CP0577109
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| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-(1,3-benzothiazol-6-ylsulfonyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H18N4O3S3
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| Molecular Weight |
458.59
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| Canonical SMILES |
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2ncsc2c1
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| InChI |
InChI=1S/C20H18N4O3S3/c25-20(23-14-1-4-18-17(9-14)22-12-28-18)13-5-7-24(8-6-13)30(26,27)15-2-3-16-19(10-15)29-11-21-16/h1-4,9-13H,5-8H2,(H,23,25)
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| InChIKey |
KYUKFFMWRNHJEF-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