General Information of the Compound
| Compound ID |
CP0152535
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| Compound Name |
4-(3-benzyl-2,2-dioxo-2lambda6,1,3-benzothiadiazol-1-yl)-1-pyrrolidin-1-ylbutan-1-one
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
O=C(CCCN1c2ccccc2N(Cc2ccccc2)S1(=O)=O)N1CCCC1
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| InChI |
InChI=1S/C21H25N3O3S/c25-21(22-14-6-7-15-22)13-8-16-23-19-11-4-5-12-20(19)24(28(23,26)27)17-18-9-2-1-3-10-18/h1-5,9-12H,6-8,13-17H2
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| InChIKey |
UTSGXQAQHWONPA-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