General Information of the Compound
| Compound ID |
CP0176355
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| Compound Name |
US8604061, 192
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| Structure |
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| Formula |
C9H9ClN2O
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| Molecular Weight |
196.637
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| Canonical SMILES |
NC1=N[C@H](CO1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C9H9ClN2O/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
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| InChIKey |
CYOQNBYJYMBMTG-MRVPVSSYSA-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: PT04763, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1