General Information of the Compound
| Compound ID |
CP0436483
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| Compound Name |
4-{5-chloro-1'-[(4-methoxyphenyl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}butanoic acid
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| Structure |
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| Formula |
C23H21ClN2O6
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| Molecular Weight |
456.882
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| Canonical SMILES |
COc1ccc(CN2C(=O)CC3(C(=O)N(CCCC(O)=O)c4ccc(Cl)cc34)C2=O)cc1
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| InChI |
InChI=1S/C23H21ClN2O6/c1-32-16-7-4-14(5-8-16)13-26-19(27)12-23(22(26)31)17-11-15(24)6-9-18(17)25(21(23)30)10-2-3-20(28)29/h4-9,11H,2-3,10,12-13H2,1H3,(H,28,29)
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| InChIKey |
NOLYCSGPQXLBPU-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