General Information of the Compound
| Compound ID |
CP0459185
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| Compound Name |
3-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-4-methylbenzoic acid
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| Structure |
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| Formula |
C27H25NO4S
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| Molecular Weight |
459.567
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| Canonical SMILES |
Cc1ccc(cc1-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1)C(O)=O
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| InChI |
InChI=1S/C27H25NO4S/c1-17-9-10-20(27(30)31)14-24(17)19-6-4-5-18(13-19)16-32-22-11-12-23-25(15-22)33-28(26(23)29)21-7-2-3-8-21/h4-6,9-15,21H,2-3,7-8,16H2,1H3,(H,30,31)
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| InChIKey |
VUMIBIDABVTRIS-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