General Information of the Compound
| Compound ID |
CP0553390
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| Compound Name |
US8802673, 65
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| Structure |
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| Formula |
C17H18N2O3
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| Molecular Weight |
298.342
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| Canonical SMILES |
C1Oc2ccc(Nc3ccc(cc3)[C@H]3CNCCO3)cc2O1
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| InChI |
InChI=1S/C17H18N2O3/c1-3-13(4-2-12(1)17-10-18-7-8-20-17)19-14-5-6-15-16(9-14)22-11-21-15/h1-6,9,17-19H,7-8,10-11H2/t17-/m1/s1
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| InChIKey |
LFWYZARXTBIWQA-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