General Information of the Compound
| Compound ID |
CP0513966
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| Compound Name |
2-(1-(methylsulfonyl)-3-oxopiperazin-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 |
C23H34N4O4S
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| Molecular Weight |
462.616
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| Canonical SMILES |
CS(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
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| InChI |
InChI=1S/C23H34N4O4S/c1-32(30,31)27-13-10-24-23(29)21(27)15-22(28)25-20-7-5-6-18-14-17(8-9-19(18)20)16-26-11-3-2-4-12-26/h8-9,14,20-21H,2-7,10-13,15-16H2,1H3,(H,24,29)(H,25,28)/t20-,21?/m1/s1
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| InChIKey |
BVXUWROVWQGLOC-VQCQRNETSA-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