General Information of the Compound
| Compound ID |
CP0465250
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| Compound Name |
3-[3-[3-[(5-tert-butyl-4-methyl-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 |
C24H33N5OS
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| Molecular Weight |
439.629
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| Canonical SMILES |
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(n3C)C(C)(C)C)CCc2c1
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| InChI |
InChI=1S/C24H33N5OS/c1-17-15-21(27-30-17)20-8-7-18-9-12-29(13-10-19(18)16-20)11-6-14-31-23-26-25-22(28(23)5)24(2,3)4/h7-8,15-16H,6,9-14H2,1-5H3
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| InChIKey |
YFWICZORWGKFIF-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