General Information of the Compound
| Compound ID |
CP0452316
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| Compound Name |
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-(quinolin-8-ylmethyl)amino]acetic acid
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| Structure |
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| Formula |
C23H24N2O5S
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| Molecular Weight |
440.521
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| Canonical SMILES |
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc2cccnc12
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| InChI |
InChI=1S/C23H24N2O5S/c1-23(2)11-10-17-13-19(8-9-20(17)30-23)31(28,29)25(15-21(26)27)14-18-6-3-5-16-7-4-12-24-22(16)18/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,26,27)
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| InChIKey |
LWBCCDUAQWZGLW-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