General Information of the Compound
| Compound ID |
CP0299626
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| Compound Name |
(2S)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)ethyl)(methyl)amino)propanoic acid
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| Structure |
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| Formula |
C22H21Cl2NO5
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| Molecular Weight |
450.318
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| Canonical SMILES |
COc1cc2C(=O)C(CCN(C)[C@@H](C)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
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| InChI |
InChI=1S/C22H21Cl2NO5/c1-12(21(28)29)25(2)10-9-22(13-7-5-4-6-8-13)19(26)14-11-15(30-3)17(23)18(24)16(14)20(22)27/h4-8,11-12H,9-10H2,1-3H3,(H,28,29)/t12-,22?/m0/s1
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| InChIKey |
LVLIPXUTHJTYCL-BJDAYTSDSA-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