General Information of the Compound
| Compound ID |
CP0194291
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| Compound Name |
4-{[(6S)-6-{4-[2-(4-fluorophenyl)ethyl]-2-oxopiperazin-1-yl}-5,6,7,8-tetrahydronaphthalen-2-yl]methyl}-1,4-thiomorpholine-1,1-dione
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| Structure |
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| Formula |
C27H34FN3O3S
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| Molecular Weight |
499.652
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| Canonical SMILES |
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCS(=O)(=O)CC5)ccc4C3)C(=O)C2)cc1
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| InChI |
InChI=1S/C27H34FN3O3S/c28-25-6-2-21(3-7-25)9-10-29-11-12-31(27(32)20-29)26-8-5-23-17-22(1-4-24(23)18-26)19-30-13-15-35(33,34)16-14-30/h1-4,6-7,17,26H,5,8-16,18-20H2/t26-/m0/s1
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| InChIKey |
PTWGVYYSUNMNEA-SANMLTNESA-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