General Information of the Compound
| Compound ID |
CP0111081
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| Compound Name |
5-[(1R)-1-[(3,5-difluoro-4-trimethylsilylphenyl)carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethyl-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H34F2N2O5Si
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| Molecular Weight |
532.66
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| Canonical SMILES |
COc1ccc2[C@@H](N(CCc2c1)C(=O)CC(C)(C)CC(O)=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
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| InChI |
InChI=1S/C27H34F2N2O5Si/c1-27(2,15-23(33)34)14-22(32)31-10-9-16-11-18(36-3)7-8-19(16)24(31)26(35)30-17-12-20(28)25(21(29)13-17)37(4,5)6/h7-8,11-13,24H,9-10,14-15H2,1-6H3,(H,30,35)(H,33,34)/t24-/m1/s1
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| InChIKey |
IAUQYAHIBMNLTI-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