General Information of the Compound
| Compound ID |
CP0405115
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| Compound Name |
3-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-5-nitrobenzoic acid
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| Structure |
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| Formula |
C26H22N2O6S
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| Molecular Weight |
490.537
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| Canonical SMILES |
OC(=O)c1cc(cc(c1)[N+]([O-])=O)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
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| InChI |
InChI=1S/C26H22N2O6S/c29-25-23-9-8-22(14-24(23)35-27(25)20-6-1-2-7-20)34-15-16-4-3-5-17(10-16)18-11-19(26(30)31)13-21(12-18)28(32)33/h3-5,8-14,20H,1-2,6-7,15H2,(H,30,31)
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| InChIKey |
PZLYFIUJOKQBFD-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