General Information of the Compound
| Compound ID |
CP0260030
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| Compound Name |
4-[2,2-dioxo-3-[(4-pentan-3-ylphenyl)methyl]-2lambda6,1,3-benzothiadiazol-1-yl]-1-pyrrolidin-1-ylbutan-1-one
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| Structure |
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| Formula |
C26H35N3O3S
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| Molecular Weight |
469.651
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| Canonical SMILES |
CCC(CC)c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1
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| InChI |
InChI=1S/C26H35N3O3S/c1-3-22(4-2)23-15-13-21(14-16-23)20-29-25-11-6-5-10-24(25)28(33(29,31)32)19-9-12-26(30)27-17-7-8-18-27/h5-6,10-11,13-16,22H,3-4,7-9,12,17-20H2,1-2H3
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| InChIKey |
YCEJENREJIKZIK-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