General Information of the Compound
| Compound ID |
CP0533137
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| Compound Name |
US9029370, 51
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| Structure |
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| Formula |
C16H15ClF3N5O2
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| Molecular Weight |
401.776
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| Canonical SMILES |
FC(F)(F)c1ncc(NC(=O)Nc2ccc(cc2Cl)[C@H]2CNCCO2)cn1
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| InChI |
InChI=1S/C16H15ClF3N5O2/c17-11-5-9(13-8-21-3-4-27-13)1-2-12(11)25-15(26)24-10-6-22-14(23-7-10)16(18,19)20/h1-2,5-7,13,21H,3-4,8H2,(H2,24,25,26)/t13-/m1/s1
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| InChIKey |
YCGGLAKRVHFVLD-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: PT03501, Trace amine-associated receptor 1