General Information of the Compound
| Compound ID |
CP0483793
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| Compound Name |
2-(5,5-dimethyl-3-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 |
C31H42N4O4S
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| Molecular Weight |
566.768
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CC(C)(C)NC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
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| InChI |
InChI=1S/C31H42N4O4S/c1-22-10-13-25(14-11-22)40(38,39)35-21-31(2,3)33-30(37)28(35)19-29(36)32-27-9-7-8-24-18-23(12-15-26(24)27)20-34-16-5-4-6-17-34/h10-15,18,27-28H,4-9,16-17,19-21H2,1-3H3,(H,32,36)(H,33,37)/t27-,28?/m1/s1
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| InChIKey |
IWSJXYFILWNIQO-QXPUDEPPSA-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