General Information of the Compound
| Compound ID |
CP0965647
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| Compound Name |
US9181230, 1
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
c1ccc2[nH]c(-c3ccc(C4CNCCO4)cc3)nc2c1
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| InChI |
InChI=1S/C17H17N3O/c1-2-4-15-14(3-1)19-17(20-15)13-7-5-12(6-8-13)16-11-18-9-10-21-16/h1-8,16,18H,9-11H2,(H,19,20)
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| InChIKey |
HUSAHSKGFYBPMJ-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