General Information of the Compound
| Compound ID |
CP0904661
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| Compound Name |
5-((1R)-1-((4-tert-Butyl-3,5-difluorophenyl)carbamoyl)-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H30F2N2O5
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| Molecular Weight |
488.531
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| Canonical SMILES |
COc1ccc2c(c1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c(C(C)(C)C)c(F)c1
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| InChI |
InChI=1S/C26H30F2N2O5/c1-26(2,3)23-19(27)13-16(14-20(23)28)29-25(34)24-18-9-8-17(35-4)12-15(18)10-11-30(24)21(31)6-5-7-22(32)33/h8-9,12-14,24H,5-7,10-11H2,1-4H3,(H,29,34)(H,32,33)/t24-/m1/s1
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| InChIKey |
JYLWYJBGEMXKRM-XMMPIXPASA-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