General Information of the Compound
| Compound ID |
CP0910426
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| Compound Name |
US9181230, 30
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| Structure |
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| Formula |
C20H19FN4O2
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| Molecular Weight |
366.396
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| Canonical SMILES |
O=C(Nc1cc(-c2ccc([C@H]3CNCCO3)cc2)n[nH]1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FN4O2/c21-16-7-5-15(6-8-16)20(26)23-19-11-17(24-25-19)13-1-3-14(4-2-13)18-12-22-9-10-27-18/h1-8,11,18,22H,9-10,12H2,(H2,23,24,25,26)/t18-/m1/s1
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| InChIKey |
BTLWTCVLPJVDEZ-GOSISDBHSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1