General Information of the Compound
| Compound ID |
CP0379040
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| Compound Name |
3-[3-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole
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| Structure |
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| Formula |
C21H27N5OS
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| Molecular Weight |
397.548
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| Canonical SMILES |
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(C)n3C)CCc2c1
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| InChI |
InChI=1S/C21H27N5OS/c1-15-13-20(24-27-15)19-6-5-17-7-10-26(11-8-18(17)14-19)9-4-12-28-21-23-22-16(2)25(21)3/h5-6,13-14H,4,7-12H2,1-3H3
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| InChIKey |
YVOIVVWXMHBXQF-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