General Information of the Compound
| Compound ID |
CP0412552
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| Compound Name |
2-{5-chloro-1'-[(2-methoxyphenyl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C21H17ClN2O6
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| Molecular Weight |
428.828
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| Canonical SMILES |
COc1ccccc1CN1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O
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| InChI |
InChI=1S/C21H17ClN2O6/c1-30-16-5-3-2-4-12(16)10-24-17(25)9-21(20(24)29)14-8-13(22)6-7-15(14)23(19(21)28)11-18(26)27/h2-8H,9-11H2,1H3,(H,26,27)
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| InChIKey |
MGAOEUROKBHMFA-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