General Information of the Compound
| Compound ID |
CP0446409
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| Compound Name |
CHEMBL2113200
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| Formula |
C26H27ClN6O5S
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| Molecular Weight |
571.059
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| Canonical SMILES |
CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccncc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H27ClN6O5S/c1-32(2)14-3-15-38-20-8-10-21(11-9-20)39(36,37)33(19-6-4-18(27)5-7-19)17-24(34)30-31-25-22-16-28-13-12-23(22)29-26(25)35/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,34)(H,29,31,35)
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| InChIKey |
KADSBHRUZZTVJC-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: PT01510, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor