General Information of the Compound
| Compound ID |
CP0421456
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| Compound Name |
US10562853, Compound 64
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| Structure |
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| Formula |
C21H22ClF3N2O2
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| Molecular Weight |
426.866
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| Canonical SMILES |
Fc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C21H22ClF3N2O2/c22-18-13-15(1-6-19(18)24)20(28)27-10-7-21(25,8-11-27)14-26-9-12-29-17-4-2-16(23)3-5-17/h1-6,13,26H,7-12,14H2
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| InChIKey |
UVGOPVMDNYVNOI-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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Protein ID: PT01005, D(2) dopamine receptor