General Information of the Compound
| Compound ID |
CP0082124
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| Compound Name |
N-[(2S)-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
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| Structure |
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| Formula |
C29H31FN2O3S
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| Molecular Weight |
506.643
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| Canonical SMILES |
CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H31FN2O3S/c1-31(29(33)24-6-4-22(5-7-24)23-8-11-27(30)12-9-23)28-13-10-25-18-21(2-3-26(25)19-28)20-32-14-16-36(34,35)17-15-32/h2-9,11-12,18,28H,10,13-17,19-20H2,1H3/t28-/m0/s1
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| InChIKey |
VRLORRTWDYVKNM-NDEPHWFRSA-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