General Information of the Compound
| Compound ID |
CP0565578
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| Compound Name |
US9029370, 104
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| Structure |
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| Formula |
C20H18F3N5O3
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| Molecular Weight |
433.39
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H18F3N5O3/c21-15-9-12(18-10-24-7-8-30-18)1-6-16(15)25-19(29)17-11-28(27-26-17)13-2-4-14(5-3-13)31-20(22)23/h1-6,9,11,18,20,24H,7-8,10H2,(H,25,29)/t18-/m1/s1
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| InChIKey |
QODCRIVXJSLQQB-GOSISDBHSA-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: PT03501, Trace amine-associated receptor 1