General Information of the Compound
| Compound ID |
CP0471529
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| Compound Name |
US10562853, Compound 2
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| Structure |
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| Formula |
C23H26ClF2N3O3
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| Molecular Weight |
465.928
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| Canonical SMILES |
CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
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| InChI |
InChI=1S/C23H26ClF2N3O3/c1-16(30)28-18-3-2-4-19(14-18)32-12-9-27-15-23(26)7-10-29(11-8-23)22(31)17-5-6-21(25)20(24)13-17/h2-6,13-14,27H,7-12,15H2,1H3,(H,28,30)
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| InChIKey |
YNHCYBQECNBQLO-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
Protein ID: PT01005, D(2) dopamine receptor