General Information of the Compound
| Compound ID |
CP0422076
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| Compound Name |
2-{5-chloro-1'-[(3-fluoro-4-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 |
C21H16ClFN2O6
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| Molecular Weight |
446.818
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| Canonical SMILES |
COc1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cc1F
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| InChI |
InChI=1S/C21H16ClFN2O6/c1-31-16-5-2-11(6-14(16)23)9-25-17(26)8-21(20(25)30)13-7-12(22)3-4-15(13)24(19(21)29)10-18(27)28/h2-7H,8-10H2,1H3,(H,27,28)
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| InChIKey |
GKGDSCNLTJTSRM-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