General Information of the Compound
| Compound ID |
CP0555328
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| Compound Name |
US10562853, Compound 35
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| Structure |
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| Formula |
C20H23ClF2N4O2
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| Molecular Weight |
424.879
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| Canonical SMILES |
Cc1cnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
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| InChI |
InChI=1S/C20H23ClF2N4O2/c1-14-11-25-19(26-12-14)29-9-6-24-13-20(23)4-7-27(8-5-20)18(28)15-2-3-17(22)16(21)10-15/h2-3,10-12,24H,4-9,13H2,1H3
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| InChIKey |
BLJZKXJVIGQCID-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