General Information of the Compound
| Compound ID |
CP0494365
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| Compound Name |
N-[(1R)-6-[(3,3-dimethylpiperidin-1-yl)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 |
C31H42N4O4S
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| Molecular Weight |
566.768
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC(C)(C)C3)ccc12
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| InChI |
InChI=1S/C31H42N4O4S/c1-22-8-11-25(12-9-22)40(38,39)35-17-15-32-30(37)28(35)19-29(36)33-27-7-4-6-24-18-23(10-13-26(24)27)20-34-16-5-14-31(2,3)21-34/h8-13,18,27-28H,4-7,14-17,19-21H2,1-3H3,(H,32,37)(H,33,36)/t27-,28-/m1/s1
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| InChIKey |
PDSRDBIHGJPAEP-VSGBNLITSA-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