General Information of the Compound
| Compound ID |
CP0468232
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| Compound Name |
US9029370, 111
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| Structure |
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| Formula |
C21H18FN5O2
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| Molecular Weight |
391.406
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)c1cnn(c1)-c1ccc(cc1)C#N)[C@H]1CNCCO1
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| InChI |
InChI=1S/C21H18FN5O2/c22-18-9-15(20-12-24-7-8-29-20)3-6-19(18)26-21(28)16-11-25-27(13-16)17-4-1-14(10-23)2-5-17/h1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t20-/m1/s1
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| InChIKey |
WSAOKKNDYUHDQT-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