General Information of the Compound
| Compound ID |
CP0491092
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| Compound Name |
US8802673, 51
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| Structure |
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| Formula |
C20H20ClN3O
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| Molecular Weight |
353.853
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| Canonical SMILES |
Clc1nc2ccccc2cc1CNc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H20ClN3O/c21-20-16(11-15-3-1-2-4-18(15)24-20)12-23-17-7-5-14(6-8-17)19-13-22-9-10-25-19/h1-8,11,19,22-23H,9-10,12-13H2/t19-/m1/s1
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| InChIKey |
BQDOGNWVKQRWBL-LJQANCHMSA-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: PT06968, Trace amine-associated receptor 7b