General Information of the Compound
| Compound ID |
CP0563897
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| Compound Name |
US9029370, 15
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| Structure |
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| Formula |
C19H19FN4O2
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| Molecular Weight |
354.385
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)NCc1cccc(c1)C#N)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C19H19FN4O2/c20-16-9-15(18-12-22-6-7-26-18)4-5-17(16)24-19(25)23-11-14-3-1-2-13(8-14)10-21/h1-5,8-9,18,22H,6-7,11-12H2,(H2,23,24,25)/t18-/m0/s1
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| InChIKey |
DDMZVPBDGBOHBN-SFHVURJKSA-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