General Information of the Compound
| Compound ID |
CP0530408
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| Compound Name |
US8802673, 115
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
C1CO[C@H](CN1)c1ccc(Nc2nnc(o2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C18H18N4O2/c1-2-4-14(5-3-1)17-21-22-18(24-17)20-15-8-6-13(7-9-15)16-12-19-10-11-23-16/h1-9,16,19H,10-12H2,(H,20,22)/t16-/m1/s1
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| InChIKey |
WGZPUTANPYGSAB-MRXNPFEDSA-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