General Information of the Compound
| Compound ID |
CP0498457
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| Compound Name |
CHEMBL2113205
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| Formula |
C24H19N5O4S
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| Molecular Weight |
473.514
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| Canonical SMILES |
Cc1ccc(cc1)N(CC(=O)NN=C1C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H19N5O4S/c1-16-6-10-18(11-7-16)29(34(32,33)19-12-8-17(14-25)9-13-19)15-22(30)27-28-23-20-4-2-3-5-21(20)26-24(23)31/h2-13H,15H2,1H3,(H,27,30)(H,26,28,31)
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| InChIKey |
AULHQTICNXXEBN-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