General Information of the Compound
| Compound ID |
CP0478325
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| Compound Name |
US10501411, Example 210
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| Structure |
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| Formula |
C16H16ClN3O2
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| Molecular Weight |
317.776
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| Canonical SMILES |
Clc1cncc(c1)C(=O)Nc1ccc(cc1)C1CNCCO1
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| InChI |
InChI=1S/C16H16ClN3O2/c17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-4,7-9,15,18H,5-6,10H2,(H,20,21)
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| InChIKey |
DQIPENMWLDMNAT-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