General Information of the Compound
| Compound ID |
CP0503557
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C27H35N3O3S2
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| Molecular Weight |
513.729
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
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| InChI |
InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3
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| InChIKey |
CTGVOLFEVRPTNS-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