General Information of the Compound
| Compound ID |
CP0391566
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| Compound Name |
2-(2-(2-(4-ethoxy-N-p-tolylphenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetamide
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| Structure |
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| Formula |
C28H31N3O5S
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| Molecular Weight |
521.639
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| Canonical SMILES |
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N1Cc2ccccc2CC1CC(N)=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C28H31N3O5S/c1-3-36-25-12-14-26(15-13-25)37(34,35)31(23-10-8-20(2)9-11-23)19-28(33)30-18-22-7-5-4-6-21(22)16-24(30)17-27(29)32/h4-15,24H,3,16-19H2,1-2H3,(H2,29,32)
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| InChIKey |
JUJUCUQAMNQELN-UHFFFAOYSA-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
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor