General Information of the Compound
| Compound ID |
CP0503556
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| Compound Name |
N-cyclopentyl-N-[[2-[4-[(furan-3-ylmethylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C28H31N3O4S2
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| Molecular Weight |
537.707
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCc2ccoc2)cc1)C1CCCC1
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| InChI |
InChI=1S/C28H31N3O4S2/c1-34-26-10-12-27(13-11-26)37(32,33)31(25-4-2-3-5-25)18-24-20-36-28(30-24)23-8-6-21(7-9-23)16-29-17-22-14-15-35-19-22/h6-15,19-20,25,29H,2-5,16-18H2,1H3
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| InChIKey |
IJLFSDUMPYNLFI-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