General Information of the Compound
| Compound ID |
CP0561161
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| Compound Name |
US10501411, Example 240
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| Structure |
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| Formula |
C19H21ClN2O2
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| Molecular Weight |
344.842
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| Canonical SMILES |
Clc1ccc(COC(=O)Nc2ccc(cc2)[C@@H]2CCCNC2)cc1
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| InChI |
InChI=1S/C19H21ClN2O2/c20-17-7-3-14(4-8-17)13-24-19(23)22-18-9-5-15(6-10-18)16-2-1-11-21-12-16/h3-10,16,21H,1-2,11-13H2,(H,22,23)/t16-/m1/s1
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| InChIKey |
IHUGQUDZYWZFAG-MRXNPFEDSA-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