General Information of the Compound
| Compound ID |
CP0500154
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| Compound Name |
US8802673, 70
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| Structure |
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| Formula |
C18H21ClN2O
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| Molecular Weight |
316.832
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| Canonical SMILES |
CC(Nc1ccc(cc1)[C@H]1CNCCO1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H21ClN2O/c1-13(14-2-6-16(19)7-3-14)21-17-8-4-15(5-9-17)18-12-20-10-11-22-18/h2-9,13,18,20-21H,10-12H2,1H3/t13?,18-/m1/s1
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| InChIKey |
JFIRPSVVFUGHGX-PQJIZZRHSA-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