General Information of the Compound
| Compound ID |
CP0443933
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| Compound Name |
2-[[4-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]phenyl]methylsulfonylmethyl]benzoic acid
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| Structure |
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| Formula |
C33H37NO7S
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| Molecular Weight |
591.726
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C33H37NO7S/c1-32(2,3)41-31(37)34-18-16-33(17-19-34)15-14-26-20-25(12-13-29(26)40-33)24-10-8-23(9-11-24)21-42(38,39)22-27-6-4-5-7-28(27)30(35)36/h4-13,20H,14-19,21-22H2,1-3H3,(H,35,36)
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| InChIKey |
GFWGDRMMHGFNRW-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