General Information of the Compound
| Compound ID |
CP0463107
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| Compound Name |
2-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C21H24N2O4S
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| Molecular Weight |
400.5
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| Canonical SMILES |
O=C1N(CCCCNCC2CCc3ccccc3O2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2
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| InChIKey |
YGYBFMRFXNDIPO-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