General Information of the Compound
| Compound ID |
CP0404758
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| Compound Name |
5-methyl-3-[3-[3-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2-oxazole
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| Structure |
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| Formula |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccn4)n3C)CCc2c1
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| InChI |
InChI=1S/C25H28N6OS/c1-18-16-23(29-32-18)21-8-7-19-9-13-31(14-10-20(19)17-21)12-5-15-33-25-28-27-24(30(25)2)22-6-3-4-11-26-22/h3-4,6-8,11,16-17H,5,9-10,12-15H2,1-2H3
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| InChIKey |
PZBTVBSLNQDOCG-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2