General Information of the Compound
| Compound ID |
CP0509210
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| Compound Name |
US8802673, 165
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
C1OCC1c1ccc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
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| InChI |
InChI=1S/C18H21N3O2/c1-4-16(5-2-13(1)17-10-19-7-8-23-17)21-18-6-3-14(9-20-18)15-11-22-12-15/h1-6,9,15,17,19H,7-8,10-12H2,(H,20,21)/t17-/m1/s1
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| InChIKey |
OCJWSJMVMQHFQN-QGZVFWFLSA-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