General Information of the Compound
| Compound ID |
CP0406190
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| Compound Name |
4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H)-yl)-1-(ethylamino)butan-2-ol
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| Structure |
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| Formula |
C18H23N3O3S
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| Molecular Weight |
361.467
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| Canonical SMILES |
CCNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
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| InChI |
InChI=1S/C18H23N3O3S/c1-2-19-14-16(22)12-13-20-17-10-6-7-11-18(17)21(25(20,23)24)15-8-4-3-5-9-15/h3-11,16,19,22H,2,12-14H2,1H3
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| InChIKey |
VGSAURUBNJSRDU-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