General Information of the Compound
| Compound ID |
CP0468260
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| Compound Name |
N-cyclopentyl-4-methoxy-N-[[2-[4-(propylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H33N3O3S2
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| Molecular Weight |
499.702
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| Canonical SMILES |
CCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
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| InChI |
InChI=1S/C26H33N3O3S2/c1-3-16-27-17-20-8-10-21(11-9-20)26-28-22(19-33-26)18-29(23-6-4-5-7-23)34(30,31)25-14-12-24(32-2)13-15-25/h8-15,19,23,27H,3-7,16-18H2,1-2H3
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| InChIKey |
MWDHQTRUMQSCEX-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
Protein ID: PT01840, Vasopressin V1b receptor