General Information of the Compound
| Compound ID |
CP0506780
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| Compound Name |
US9029370, 49
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| Structure |
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| Formula |
C17H16ClF3N4O2
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| Molecular Weight |
400.788
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2Cl)[C@@H]2CNCCO2)cn1
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| InChI |
InChI=1S/C17H16ClF3N4O2/c18-12-7-10(14-9-22-5-6-27-14)1-3-13(12)25-16(26)24-11-2-4-15(23-8-11)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H2,24,25,26)/t14-/m0/s1
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| InChIKey |
RHIVXACMZCNCEU-AWEZNQCLSA-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