General Information of the Compound
| Compound ID |
CP0503635
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| Compound Name |
US9029370, 66
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| Structure |
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| Formula |
C17H16BrN5O2
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| Molecular Weight |
402.252
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| Canonical SMILES |
Brc1cc(ccc1NC(=O)Nc1ccc(nc1)C#N)[C@H]1CNCCO1
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| InChI |
InChI=1S/C17H16BrN5O2/c18-14-7-11(16-10-20-5-6-25-16)1-4-15(14)23-17(24)22-13-3-2-12(8-19)21-9-13/h1-4,7,9,16,20H,5-6,10H2,(H2,22,23,24)/t16-/m1/s1
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| InChIKey |
PQNUQZDJRDTYEQ-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