General Information of the Compound
| Compound ID |
CP0271206
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| Compound Name |
5-[(1R)-1-[(3,5-difluoro-4-trimethylsilylphenyl)carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoic acid
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| Structure |
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| Formula |
C25H30F2N2O5Si
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| Molecular Weight |
504.606
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| Canonical SMILES |
COc1ccc2[C@@H](N(CCc2c1)C(=O)CCCC(O)=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
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| InChI |
InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1
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| InChIKey |
DOZIENYKMFCGSP-HSZRJFAPSA-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