General Information of the Compound
| Compound ID |
CP0536245
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| Compound Name |
US8802673, 122
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| Structure |
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
CC(C)Oc1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
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| InChI |
InChI=1S/C17H22N4O2/c1-12(2)23-15-9-19-17(20-10-15)21-14-5-3-13(4-6-14)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,7-8,11H2,1-2H3,(H,19,20,21)/t16-/m1/s1
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| InChIKey |
DNPJSZFCXWYUTA-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