General Information of the Compound
| Compound ID |
CP0486356
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| Compound Name |
5-[5-[3-[7-(2,5-dimethylpyrazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
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| Structure |
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| Formula |
C25H31N7OS
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| Molecular Weight |
477.638
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| Canonical SMILES |
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2)n(C)n1
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| InChI |
InChI=1S/C25H31N7OS/c1-17-14-22(31(4)29-17)21-7-6-19-8-11-32(12-9-20(19)15-21)10-5-13-34-25-28-27-24(30(25)3)23-18(2)26-16-33-23/h6-7,14-16H,5,8-13H2,1-4H3
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| InChIKey |
RHHJVFYYCJWYII-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