General Information of the Compound
| Compound ID |
CP0408940
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| Compound Name |
(1R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide
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| Structure |
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| Formula |
C25H27F2N3O5SSi
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| Molecular Weight |
547.656
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| Canonical SMILES |
COc1ccc2[C@@H](N(CCc2c1)C(=O)CC1SC(=O)NC1=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
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| InChI |
InChI=1S/C25H27F2N3O5SSi/c1-35-15-5-6-16-13(9-15)7-8-30(20(31)12-19-23(32)29-25(34)36-19)21(16)24(33)28-14-10-17(26)22(18(27)11-14)37(2,3)4/h5-6,9-11,19,21H,7-8,12H2,1-4H3,(H,28,33)(H,29,32,34)/t19?,21-/m1/s1
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| InChIKey |
QKZZXQLQWKYGRH-VGAJERRHSA-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