General Information of the Compound
| Compound ID |
CP0516327
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| Compound Name |
2-{1'-benzyl-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C21H18N2O6
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| Molecular Weight |
394.383
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| Canonical SMILES |
COc1ccc2N(CC(O)=O)C(=O)C3(CC(=O)N(Cc4ccccc4)C3=O)c2c1
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| InChI |
InChI=1S/C21H18N2O6/c1-29-14-7-8-16-15(9-14)21(19(27)22(16)12-18(25)26)10-17(24)23(20(21)28)11-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,25,26)
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| InChIKey |
GNNMQIXVBVKSKB-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