General Information of the Compound
| Compound ID |
CP0500144
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| Compound Name |
US8802673, 189
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| Structure |
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| Formula |
C17H20N4O
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| Molecular Weight |
296.374
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| Canonical SMILES |
C1CC1c1ccnc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
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| InChI |
InChI=1S/C17H20N4O/c1-2-12(1)15-7-8-19-17(21-15)20-14-5-3-13(4-6-14)16-11-18-9-10-22-16/h3-8,12,16,18H,1-2,9-11H2,(H,19,20,21)/t16-/m0/s1
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| InChIKey |
CQHVTHQPTFJYEM-INIZCTEOSA-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