General Information of the Compound
| Compound ID |
CP0425534
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| Compound Name |
US10501411, Example 213
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| Structure |
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| Formula |
C25H23ClN2O5
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| Molecular Weight |
466.921
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| Canonical SMILES |
COC(=O)c1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1Cl
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| InChI |
InChI=1S/C25H23ClN2O5/c1-31-25(30)21-11-10-20(14-22(21)26)33-19-8-4-17(5-9-19)24(29)28-18-6-2-16(3-7-18)23-15-27-12-13-32-23/h2-11,14,23,27H,12-13,15H2,1H3,(H,28,29)
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| InChIKey |
LINWFJUXYCCSJA-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