General Information of the Compound
| Compound ID |
CP0453759
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| Compound Name |
CHEMBL2113206
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| Formula |
C27H22N4O4S
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| Molecular Weight |
498.564
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| Canonical SMILES |
Cc1ccc(cc1)N(CC(=O)NN=C1C(=O)Nc2ccccc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H22N4O4S/c1-18-13-15-20(16-14-18)31(36(34,35)24-12-6-8-19-7-2-3-9-21(19)24)17-25(32)29-30-26-22-10-4-5-11-23(22)28-27(26)33/h2-16H,17H2,1H3,(H,29,32)(H,28,30,33)
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| InChIKey |
JXIGIYONGSQKLR-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