General Information of the Compound
| Compound ID |
CP0297520
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| Compound Name |
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridin-2-amine
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| Structure |
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| Formula |
C26H29F3N4
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| Molecular Weight |
454.54
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C26H29F3N4/c27-26(28,29)23-9-6-10-24(19-23)33-17-15-32(16-18-33)14-5-4-13-30-25-12-11-22(20-31-25)21-7-2-1-3-8-21/h1-3,6-12,19-20H,4-5,13-18H2,(H,30,31)
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| InChIKey |
UDUOGLZZYDDSKR-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