General Information of the Compound
| Compound ID |
CP0959316
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| Compound Name |
US9181230, 5
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| Structure |
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| Formula |
C18H17ClN4O
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| Molecular Weight |
340.814
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| Canonical SMILES |
Clc1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)n[nH]2)cn1
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| InChI |
InChI=1S/C18H17ClN4O/c19-18-6-5-14(10-21-18)16-9-15(22-23-16)12-1-3-13(4-2-12)17-11-20-7-8-24-17/h1-6,9-10,17,20H,7-8,11H2,(H,22,23)
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| InChIKey |
YBWYJBLAOBPTIE-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