General Information of the Compound
| Compound ID |
CP0405868
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| Compound Name |
US10501411, Example 300
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
CCOc1cc(ccn1)C(=O)Nc1ccc(cc1)C1CNCCO1
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| InChI |
InChI=1S/C18H21N3O3/c1-2-23-17-11-14(7-8-20-17)18(22)21-15-5-3-13(4-6-15)16-12-19-9-10-24-16/h3-8,11,16,19H,2,9-10,12H2,1H3,(H,21,22)
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| InChIKey |
WBRDEYVGYUYWCT-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