General Information of the Compound
| Compound ID |
CP0450197
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| Compound Name |
US8802673, 125
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
C(Oc1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1)C1CC1
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| InChI |
InChI=1S/C18H22N4O2/c1-2-13(1)12-24-16-9-20-18(21-10-16)22-15-5-3-14(4-6-15)17-11-19-7-8-23-17/h3-6,9-10,13,17,19H,1-2,7-8,11-12H2,(H,20,21,22)/t17-/m0/s1
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| InChIKey |
OMWQZAHESYJDCK-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