General Information of the Compound
| Compound ID |
CP0519668
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| Compound Name |
US10501411, Example 64
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
CC(C(=O)Nc1ccc(cc1)C1CCNC1)c1cccc(c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H26N2O2/c1-18(21-8-5-9-22(16-21)25(29)20-6-3-2-4-7-20)26(30)28-24-12-10-19(11-13-24)23-14-15-27-17-23/h2-13,16,18,23,27H,14-15,17H2,1H3,(H,28,30)
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| InChIKey |
PBSXTPCUNUKMLO-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