General Information of the Compound
| Compound ID |
CP0503184
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| Compound Name |
2-(5-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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| Structure |
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| Formula |
C29H38N4O4S
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| Molecular Weight |
538.714
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CC(=O)NCC1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
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| InChI |
InChI=1S/C29H38N4O4S/c1-21-8-11-25(12-9-21)38(36,37)33-20-29(35)30-18-24(33)17-28(34)31-27-7-5-6-23-16-22(10-13-26(23)27)19-32-14-3-2-4-15-32/h8-13,16,24,27H,2-7,14-15,17-20H2,1H3,(H,30,35)(H,31,34)/t24?,27-/m1/s1
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| InChIKey |
YVNHFWMUAVQHFQ-LFHRXCRSSA-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