General Information of the Compound
| Compound ID |
CP0468231
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| Compound Name |
US9029370, 96
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| Structure |
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| Formula |
C21H19ClF2N4O3
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| Molecular Weight |
448.857
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(Cl)c1
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| InChI |
InChI=1S/C21H19ClF2N4O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29)/t19-/m1/s1
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| InChIKey |
QIOOAVAQJJQTIU-LJQANCHMSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1