General Information of the Compound
| Compound ID |
CP0929265
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| Compound Name |
US9181230, 6
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
N#Cc1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)n[nH]2)cc1
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| InChI |
InChI=1S/C20H18N4O/c21-12-14-1-3-15(4-2-14)18-11-19(24-23-18)16-5-7-17(8-6-16)20-13-22-9-10-25-20/h1-8,11,20,22H,9-10,13H2,(H,23,24)
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| InChIKey |
RPYBQUMSBKHUKM-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