General Information of the Compound
| Compound ID |
CP0531662
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| Compound Name |
US8802673, 131
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| Structure |
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| Formula |
C14H14ClFN4O
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| Molecular Weight |
308.744
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| Canonical SMILES |
Fc1cc(ccc1Nc1ncc(Cl)cn1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C14H14ClFN4O/c15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t13-/m1/s1
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| InChIKey |
YIGHELMLGRDHAA-CYBMUJFWSA-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