General Information of the Compound
| Compound ID |
CP0514623
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| Compound Name |
US9029370, 110
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| Structure |
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| Formula |
C21H17F2N5O2
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| Molecular Weight |
409.396
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)c1cnn(c1)-c1ccc(cc1F)C#N)[C@H]1CNCCO1
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| InChI |
InChI=1S/C21H17F2N5O2/c22-16-8-14(20-11-25-5-6-30-20)2-3-18(16)27-21(29)15-10-26-28(12-15)19-4-1-13(9-24)7-17(19)23/h1-4,7-8,10,12,20,25H,5-6,11H2,(H,27,29)/t20-/m1/s1
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| InChIKey |
VXFXDCMXMUYDRU-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