General Information of the Compound
| Compound ID |
CP0552284
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| Compound Name |
US10501411, Example 66
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| Structure |
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| Formula |
C19H19N3O
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| Molecular Weight |
305.381
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| Canonical SMILES |
O=C(Cc1cccc(c1)C#N)Nc1ccc(cc1)C1CCNC1
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| InChI |
InChI=1S/C19H19N3O/c20-12-15-3-1-2-14(10-15)11-19(23)22-18-6-4-16(5-7-18)17-8-9-21-13-17/h1-7,10,17,21H,8-9,11,13H2,(H,22,23)
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| InChIKey |
HXADVBSYFGDARE-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1