General Information of the Compound
| Compound ID |
CP0474483
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| Compound Name |
US9029370, 94
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| Structure |
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| Formula |
C18H20ClN3O3
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| Molecular Weight |
361.829
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| Canonical SMILES |
CCOc1cc(ccn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(Cl)c1
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| InChI |
InChI=1S/C18H20ClN3O3/c1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m1/s1
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| InChIKey |
ZWIWJDJMCWUCMW-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1