General Information of the Compound
| Compound ID |
CP0394551
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| Compound Name |
trimethyl-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]azanium
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| Structure |
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| Formula |
C20H25N2O+
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| Molecular Weight |
309.433
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| Canonical SMILES |
C[N+](C)(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C20H25N2O/c1-22(2,3)18-13-11-17(12-14-18)20(23)21-15-7-6-9-16-8-4-5-10-19(16)21/h4-5,8,10-14H,6-7,9,15H2,1-3H3/q+1
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| InChIKey |
XSNCGGUSKZWUFC-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: PT01648, Vasopressin V2 receptor