General Information of the Compound
| Compound ID |
CP0535911
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| Compound Name |
US9029370, 130
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| Structure |
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| Formula |
C20H17F4N5O2
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| Molecular Weight |
435.381
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| Canonical SMILES |
Fc1cc(NC(=O)c2cnn(c2)-c2ccc(nc2)C(F)(F)F)ccc1[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H17F4N5O2/c21-16-7-13(1-3-15(16)17-10-25-5-6-31-17)28-19(30)12-8-27-29(11-12)14-2-4-18(26-9-14)20(22,23)24/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1
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| InChIKey |
JRNWUZSLVCHRSS-QGZVFWFLSA-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