General Information of the Compound
| Compound ID |
CP0535498
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| Compound Name |
(3R,4R)-3-(3,4-dichlorophenyl)-2-((S)-2-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C21H21Cl2NO3
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| Molecular Weight |
406.309
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| Canonical SMILES |
CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H21Cl2NO3/c1-3-12(2)11-24-19(13-8-9-16(22)17(23)10-13)18(21(26)27)14-6-4-5-7-15(14)20(24)25/h4-10,12,18-19H,3,11H2,1-2H3,(H,26,27)/t12-,18+,19-/m0/s1
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| InChIKey |
FCUZYJPQVKCVEM-RQUSPXKASA-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