General Information of the Compound
| Compound ID |
CP0481738
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| Compound Name |
2-chloro-5-[3-[[2-(cyclopropylmethyl)-3-oxo-1,2-benzothiazol-6-yl]oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C25H20ClNO4S
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| Molecular Weight |
465.958
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| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(CC2CC2)c3=O)c1
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| InChI |
InChI=1S/C25H20ClNO4S/c26-22-9-6-18(11-21(22)25(29)30)17-3-1-2-16(10-17)14-31-19-7-8-20-23(12-19)32-27(24(20)28)13-15-4-5-15/h1-3,6-12,15H,4-5,13-14H2,(H,29,30)
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| InChIKey |
SFOPRQAXIGFLOR-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