General Information of the Compound
| Compound ID |
CP0441929
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| Compound Name |
US9029370, 17
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| Structure |
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| Formula |
C21H21FN4O2
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| Molecular Weight |
380.423
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| Canonical SMILES |
Cn1nc(cc1C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1)-c1ccccc1
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| InChI |
InChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-5-3-2-4-6-14)21(27)24-17-8-7-15(11-16(17)22)20-13-23-9-10-28-20/h2-8,11-12,20,23H,9-10,13H2,1H3,(H,24,27)/t20-/m1/s1
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| InChIKey |
FHDFCUHMFXRKKA-HXUWFJFHSA-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