General Information of the Compound
| Compound ID |
CP0450283
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| Compound Name |
US9029370, 106
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| Structure |
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| Formula |
C17H14ClFN4O2
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| Molecular Weight |
360.776
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)c1cc(Cl)cc(n1)C#N)[C@H]1CNCCO1
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| InChI |
InChI=1S/C17H14ClFN4O2/c18-11-6-12(8-20)22-15(7-11)17(24)23-14-2-1-10(5-13(14)19)16-9-21-3-4-25-16/h1-2,5-7,16,21H,3-4,9H2,(H,23,24)/t16-/m1/s1
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| InChIKey |
NNOFPDSPZJEKBT-MRXNPFEDSA-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