General Information of the Compound
| Compound ID |
CP0404638
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| Compound Name |
1-(4-fluoro-3-methoxyphenyl)-5-[3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C23H28FN7OS
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| Molecular Weight |
469.59
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| Canonical SMILES |
COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
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| InChI |
InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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| InChIKey |
OMOJVKDXKKEFQT-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