General Information of the Compound
| Compound ID |
CP0506774
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| Compound Name |
US9029370, 21
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| Structure |
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| Formula |
C20H18F2N4O2
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| Molecular Weight |
384.386
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| Canonical SMILES |
Fc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc(cc1F)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C20H18F2N4O2/c21-15-2-4-16(5-3-15)26-12-14(10-24-26)20(27)25-18-6-1-13(9-17(18)22)19-11-23-7-8-28-19/h1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)/t19-/m0/s1
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| InChIKey |
FNDHCABVDRJYCJ-IBGZPJMESA-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