General Information of the Compound
| Compound ID |
CP0868680
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| Compound Name |
US9181230, 45
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| Structure |
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| Formula |
C15H15N3O
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| Molecular Weight |
253.305
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| Canonical SMILES |
c1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
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| InChI |
InChI=1S/C15H15N3O/c1-2-11-12-8-10(14-9-16-6-7-19-14)3-4-13(12)18-15(11)17-5-1/h1-5,8,14,16H,6-7,9H2,(H,17,18)/t14-/m1/s1
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| InChIKey |
CSFXCCDZQJPNIN-CQSZACIVSA-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