General Information of the Compound
| Compound ID |
CP0507465
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| Compound Name |
US10562853, Compound 19
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| Structure |
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| Formula |
C20H22ClF2N3O2
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| Molecular Weight |
409.864
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccnc2)CC1
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| InChI |
InChI=1S/C20H22ClF2N3O2/c21-17-12-15(3-4-18(17)22)19(27)26-9-5-20(23,6-10-26)14-25-8-11-28-16-2-1-7-24-13-16/h1-4,7,12-13,25H,5-6,8-11,14H2
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| InChIKey |
XGRYGIWQWQUCIB-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