General Information of the Compound
| Compound ID |
CP0456862
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| Compound Name |
(2S)-1-(2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)ethyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C23H21Cl2NO5
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| Molecular Weight |
462.329
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| Canonical SMILES |
COc1cc2C(=O)C(CCN3CCC[C@H]3C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
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| InChI |
InChI=1S/C23H21Cl2NO5/c1-31-16-12-14-17(19(25)18(16)24)21(28)23(20(14)27,13-6-3-2-4-7-13)9-11-26-10-5-8-15(26)22(29)30/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,29,30)/t15-,23?/m0/s1
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| InChIKey |
GSEHNHXNKLHNBD-NGMICRHFSA-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