General Information of the Compound
| Compound ID |
CP0535796
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| Compound Name |
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
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| Synonyms |
3-Pyridazinamine, N-(1-((3,4-difluorophenyl)methyl)-4-piperidinyl)-6-(trifluoromethyl)-
935776-74-2
BDBM50003063
CHEMBL3234237
DB12579
GJB2URS7NJ
JNJ-37822681
MolPort-039-267-898
NCGC00386644-01
SCHEMBL1022639
UNII-GJB2URS7NJ
Z1558691527
ZINC34951380
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| Structure |
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| Formula |
C17H17F5N4
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| Molecular Weight |
372.341
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| Canonical SMILES |
Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
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| InChIKey |
UVUYWJWYRLJHEN-UHFFFAOYSA-N
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| CAS |
935776-74-2
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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
Clinical Information about the Compound