General Information of the Compound
| Compound ID |
CP0885833
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| Compound Name |
5-((1R)-1-((7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentanoic Acid
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| Structure |
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| Formula |
C27H31FN2O5
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| Molecular Weight |
482.552
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| Canonical SMILES |
COc1ccc2c(c1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
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| InChI |
InChI=1S/C27H31FN2O5/c1-27(2)11-9-17-13-18(15-21(28)24(17)27)29-26(34)25-20-8-7-19(35-3)14-16(20)10-12-30(25)22(31)5-4-6-23(32)33/h7-8,13-15,25H,4-6,9-12H2,1-3H3,(H,29,34)(H,32,33)/t25-/m1/s1
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| InChIKey |
UAUYZMMVMZJHKB-RUZDIDTESA-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