General Information of the Compound
| Compound ID |
CP0498620
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| Compound Name |
2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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| Structure |
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| Formula |
C28H36N4O5S
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| Molecular Weight |
540.686
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCOCC3)ccc12
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| InChI |
InChI=1S/C28H36N4O5S/c1-20-5-8-23(9-6-20)38(35,36)32-12-11-29-28(34)26(32)18-27(33)30-25-4-2-3-22-17-21(7-10-24(22)25)19-31-13-15-37-16-14-31/h5-10,17,25-26H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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| InChIKey |
JOXQFASOZWSFHR-CLJLJLNGSA-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