General Information of the Compound
| Compound ID |
CP0870565
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| Compound Name |
US9181230, 21
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| Structure |
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| Formula |
C18H17FN4O2
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| Molecular Weight |
340.358
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| Canonical SMILES |
O=C(Nc1n[nH]c2cc(C3CNCCO3)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H17FN4O2/c19-13-4-1-11(2-5-13)18(24)21-17-14-6-3-12(9-15(14)22-23-17)16-10-20-7-8-25-16/h1-6,9,16,20H,7-8,10H2,(H2,21,22,23,24)
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| InChIKey |
YLOGEOHWZHZFTC-UHFFFAOYSA-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