General Information of the Compound
| Compound ID |
CP0491105
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| Compound Name |
US8802673, 175
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| Structure |
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| Formula |
C19H17ClF2N6O3
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| Molecular Weight |
450.833
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| Canonical SMILES |
FC(F)Oc1cnc(Oc2cnc(Nc3ccc(cc3Cl)[C@@H]3CNCCO3)nc2)nc1
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| InChI |
InChI=1S/C19H17ClF2N6O3/c20-14-5-11(16-10-23-3-4-29-16)1-2-15(14)28-18-24-6-13(7-25-18)31-19-26-8-12(9-27-19)30-17(21)22/h1-2,5-9,16-17,23H,3-4,10H2,(H,24,25,28)/t16-/m0/s1
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| InChIKey |
UTAWILNVQXKUTI-INIZCTEOSA-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