General Information of the Compound
| Compound ID |
CP0442958
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| Compound Name |
US8802673, 177
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| Structure |
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| Formula |
C18H18N4O
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| Molecular Weight |
306.369
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| Canonical SMILES |
C1CO[C@@H](CN1)c1ccc(Nc2ncc3ccccc3n2)cc1
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| InChI |
InChI=1S/C18H18N4O/c1-2-4-16-14(3-1)11-20-18(22-16)21-15-7-5-13(6-8-15)17-12-19-9-10-23-17/h1-8,11,17,19H,9-10,12H2,(H,20,21,22)/t17-/m0/s1
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| InChIKey |
CVJFJKFBKXBOGY-KRWDZBQOSA-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: PT06968, Trace amine-associated receptor 7b