General Information of the Compound
| Compound ID |
CP0394532
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| Compound Name |
2-{5-chloro-1'-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C22H20ClN3O6
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| Molecular Weight |
457.87
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| Canonical SMILES |
COc1c(C)cnc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C
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| InChI |
InChI=1S/C22H20ClN3O6/c1-11-8-24-15(12(2)19(11)32-3)9-26-17(27)7-22(21(26)31)14-6-13(23)4-5-16(14)25(20(22)30)10-18(28)29/h4-6,8H,7,9-10H2,1-3H3,(H,28,29)
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| InChIKey |
AZUYWGBLJPEIRR-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