General Information of the Compound
| Compound ID |
CP0491109
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| Compound Name |
US8802673, 204
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| Structure |
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| Formula |
C15H14ClF3N4O
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| Molecular Weight |
358.751
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1
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| InChI |
InChI=1S/C15H14ClF3N4O/c16-12-5-10(1-2-11(12)13-8-20-3-4-24-13)23-14-21-6-9(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)/t13-/m0/s1
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| InChIKey |
ICCTXZZZLREYCW-ZDUSSCGKSA-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