General Information of the Compound
| Compound ID |
CP0478326
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| Compound Name |
US10501411, Example 227
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| Structure |
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| Formula |
C20H24N2O
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| Molecular Weight |
308.425
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| Canonical SMILES |
Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C20H24N2O/c1-14-5-6-17(12-15(14)2)20(23)22-19-9-7-16(8-10-19)18-4-3-11-21-13-18/h5-10,12,18,21H,3-4,11,13H2,1-2H3,(H,22,23)/t18-/m1/s1
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| InChIKey |
GEPKFYJSXOSMME-GOSISDBHSA-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