General Information of the Compound
| Compound ID |
CP0425533
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| Compound Name |
US10501411, Example 212
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| Structure |
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| Formula |
C25H24N2O5
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| Molecular Weight |
432.476
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
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| InChI |
InChI=1S/C25H24N2O5/c28-24(27-21-9-5-18(6-10-21)23-15-26-13-14-31-23)19-7-11-22(12-8-19)32-16-17-1-3-20(4-2-17)25(29)30/h1-12,23,26H,13-16H2,(H,27,28)(H,29,30)
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| InChIKey |
RSUNWYDYKLNWCM-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