General Information of the Compound
| Compound ID |
CP0520280
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| Compound Name |
US8802673, 79
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| Structure |
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| Formula |
C17H19ClN2O
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| Molecular Weight |
302.805
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| Canonical SMILES |
Cc1cc(ccc1Nc1ccc(Cl)cc1)C1CNCCO1
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| InChI |
InChI=1S/C17H19ClN2O/c1-12-10-13(17-11-19-8-9-21-17)2-7-16(12)20-15-5-3-14(18)4-6-15/h2-7,10,17,19-20H,8-9,11H2,1H3
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| InChIKey |
YFSKTXLIMABDOP-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06968, Trace amine-associated receptor 7b