General Information of the Compound
| Compound ID |
CP0453756
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| Compound Name |
CHEMBL2113213
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| Formula |
C26H25ClN4O4S
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| Molecular Weight |
525.03
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H25ClN4O4S/c1-26(2,3)17-8-14-20(15-9-17)36(34,35)31(19-12-10-18(27)11-13-19)16-23(32)29-30-24-21-6-4-5-7-22(21)28-25(24)33/h4-15H,16H2,1-3H3,(H,29,32)(H,28,30,33)
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| InChIKey |
IJNSLJVDMQFOPU-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