General Information of the Compound
| Compound ID |
CP0471183
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| Compound Name |
US8802673, 32
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| Structure |
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| Formula |
C16H18ClN3O
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| Molecular Weight |
303.793
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| Canonical SMILES |
Clc1ccc(CNc2ccc(cc2)[C@H]2CNCCO2)cn1
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| InChI |
InChI=1S/C16H18ClN3O/c17-16-6-1-12(10-20-16)9-19-14-4-2-13(3-5-14)15-11-18-7-8-21-15/h1-6,10,15,18-19H,7-9,11H2/t15-/m1/s1
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| InChIKey |
KKRDGEPWROLZPG-OAHLLOKOSA-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