General Information of the Compound
| Compound ID |
CP0421401
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| Compound Name |
US10562853, Compound 36
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| Structure |
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| Formula |
C19H21ClF2N4O2
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| Molecular Weight |
410.852
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cnccn2)CC1
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| InChI |
InChI=1S/C19H21ClF2N4O2/c20-15-11-14(1-2-16(15)21)18(27)26-8-3-19(22,4-9-26)13-24-7-10-28-17-12-23-5-6-25-17/h1-2,5-6,11-12,24H,3-4,7-10,13H2
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| InChIKey |
PCQQITDIAVWGLB-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