General Information of the Compound
| Compound ID |
CP0468261
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| Compound Name |
N-[[2-[4-[(cyclohexylmethylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C30H39N3O3S2
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| Molecular Weight |
553.794
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC2CCCCC2)cc1)C1CCCC1
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| InChI |
InChI=1S/C30H39N3O3S2/c1-36-28-15-17-29(18-16-28)38(34,35)33(27-9-5-6-10-27)21-26-22-37-30(32-26)25-13-11-24(12-14-25)20-31-19-23-7-3-2-4-8-23/h11-18,22-23,27,31H,2-10,19-21H2,1H3
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| InChIKey |
LJDVQUIEOMPMNW-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