General Information of the Compound
| Compound ID |
CP0377964
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| Compound Name |
CHEMBL2113197
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| Formula |
C26H26N4O6S
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| Molecular Weight |
522.583
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| Canonical SMILES |
CCOc1ccc(cc1)S(=O)(=O)N(C(CO)C(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H26N4O6S/c1-3-36-19-12-14-20(15-13-19)37(34,35)30(18-10-8-17(2)9-11-18)23(16-31)25(32)29-28-24-21-6-4-5-7-22(21)27-26(24)33/h4-15,23,31H,3,16H2,1-2H3,(H,29,32)(H,27,28,33)
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| InChIKey |
LWAGCEQSXBGKFO-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