General Information of the Compound
| Compound ID |
CP0488375
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| Compound Name |
US10501411, Example 35
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| Structure |
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| Formula |
C25H25ClN2O
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| Molecular Weight |
404.941
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CCN(CCc2ccccc2)C1
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| InChI |
InChI=1S/C25H25ClN2O/c26-23-10-6-21(7-11-23)25(29)27-24-12-8-20(9-13-24)22-15-17-28(18-22)16-14-19-4-2-1-3-5-19/h1-13,22H,14-18H2,(H,27,29)
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| InChIKey |
PQHIFJRRKLHWSM-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