General Information of the Compound
| Compound ID |
CP0514647
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| Compound Name |
US9029370, 128
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| Structure |
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| Formula |
C19H16ClF3N6O2
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| Molecular Weight |
452.824
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| Canonical SMILES |
FC(F)(F)c1cncc(n1)-n1cc(cn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(Cl)c1
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| InChI |
InChI=1S/C19H16ClF3N6O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)27-18(30)11-6-26-29(10-11)17-9-25-8-16(28-17)19(21,22)23/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,27,30)/t15-/m1/s1
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| InChIKey |
CTQVVHSCIIODID-OAHLLOKOSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1