General Information of the Compound
| Compound ID |
CP0523831
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| Compound Name |
4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H)-yl)-1-(isopropylamino)butan-2-ol
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| Structure |
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| Formula |
C19H25N3O3S
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| Molecular Weight |
375.494
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| Canonical SMILES |
CC(C)NCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
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| InChI |
InChI=1S/C19H25N3O3S/c1-15(2)20-14-17(23)12-13-21-18-10-6-7-11-19(18)22(26(21,24)25)16-8-4-3-5-9-16/h3-11,15,17,20,23H,12-14H2,1-2H3
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| InChIKey |
ZLLRZVQIIORCDV-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