General Information of the Compound
| Compound ID |
CP0552412
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| Compound Name |
US10562853, Compound 14
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| Structure |
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| Formula |
C23H25ClF2N2O4
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| Molecular Weight |
466.912
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3OCCOc23)CC1
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| InChI |
InChI=1S/C23H25ClF2N2O4/c24-17-14-16(4-5-18(17)25)22(29)28-9-6-23(26,7-10-28)15-27-8-11-30-19-2-1-3-20-21(19)32-13-12-31-20/h1-5,14,27H,6-13,15H2
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| InChIKey |
FJTNCCYYNUGHTQ-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