General Information of the Compound
| Compound ID |
CP0396454
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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-hydroxy-3-methyl-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H32F2N2O6Si
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| Molecular Weight |
534.632
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| Canonical SMILES |
COc1ccc2[C@@H](N(CCc2c1)C(=O)CC(C)(O)CC(O)=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
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| InChI |
InChI=1S/C26H32F2N2O6Si/c1-26(35,14-22(32)33)13-21(31)30-9-8-15-10-17(36-2)6-7-18(15)23(30)25(34)29-16-11-19(27)24(20(28)12-16)37(3,4)5/h6-7,10-12,23,35H,8-9,13-14H2,1-5H3,(H,29,34)(H,32,33)/t23-,26?/m1/s1
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| InChIKey |
IPPAERJETDTXRQ-GEPVFLLWSA-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