General Information of the Compound
| Compound ID |
CP0397659
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| Compound Name |
2-chloro-5-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C28H27ClN2O3S
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| Molecular Weight |
507.055
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| Canonical SMILES |
CN(C)C(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
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| InChI |
InChI=1S/C28H27ClN2O3S/c1-30(2)27(32)24-15-20(10-13-25(24)29)19-7-5-6-18(14-19)17-34-22-11-12-23-26(16-22)35-31(28(23)33)21-8-3-4-9-21/h5-7,10-16,21H,3-4,8-9,17H2,1-2H3
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| InChIKey |
UXFVICYNSDZOSR-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