General Information of the Compound
| Compound ID |
CP0515673
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| Compound Name |
US10501411, Example 241
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| Structure |
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| Formula |
C20H24N4O3
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| Molecular Weight |
368.437
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C20H24N4O3/c25-20(16-3-6-19(22-13-16)24-8-11-26-12-9-24)23-17-4-1-15(2-5-17)18-14-21-7-10-27-18/h1-6,13,18,21H,7-12,14H2,(H,23,25)
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| InChIKey |
OMICGPOJPMGHCG-UHFFFAOYSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1