General Information of the Compound
| Compound ID |
CP0503590
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| Compound Name |
US8802673, 112
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| Structure |
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| Formula |
C17H22N4
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| Molecular Weight |
282.391
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| Canonical SMILES |
CCc1cnc(Nc2ccc(cc2)[C@@H]2CCCNC2)nc1
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| InChI |
InChI=1S/C17H22N4/c1-2-13-10-19-17(20-11-13)21-16-7-5-14(6-8-16)15-4-3-9-18-12-15/h5-8,10-11,15,18H,2-4,9,12H2,1H3,(H,19,20,21)/t15-/m1/s1
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| InChIKey |
VOSYAWUCKOCKQZ-OAHLLOKOSA-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