General Information of the Compound
| Compound ID |
CP0161452
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| Compound Name |
N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
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| Structure |
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| Formula |
C28H38N4O4S
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| Molecular Weight |
526.703
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
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| InChI |
InChI=1S/C28H38N4O4S/c1-19-8-11-22(12-9-19)37(35,36)32-15-14-29-27(34)25(32)17-26(33)31-24-7-5-6-21-16-20(10-13-23(21)24)18-30-28(2,3)4/h8-13,16,24-25,30H,5-7,14-15,17-18H2,1-4H3,(H,29,34)(H,31,33)/t24-,25-/m1/s1
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| InChIKey |
SLOODFDSRINSMM-JWQCQUIFSA-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