General Information of the Compound
| Compound ID |
CP0488843
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| Compound Name |
US9029370, 109
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| Structure |
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| Formula |
C21H17ClFN5O2
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| Molecular Weight |
425.851
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| Canonical SMILES |
Fc1cc(ccc1-n1cc(cn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(Cl)c1)C#N
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| InChI |
InChI=1S/C21H17ClFN5O2/c22-17-8-15(2-3-16(17)20-11-25-5-6-30-20)27-21(29)14-10-26-28(12-14)19-4-1-13(9-24)7-18(19)23/h1-4,7-8,10,12,20,25H,5-6,11H2,(H,27,29)/t20-/m1/s1
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| InChIKey |
LXIJILWABSFZHG-HXUWFJFHSA-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