General Information of the Compound
| Compound ID |
CP0544344
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| Compound Name |
US9416127, 8
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| Structure |
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| Formula |
C19H19N5O2
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| Molecular Weight |
349.394
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| Canonical SMILES |
O=C(Nc1ccc(cc1)[C@@H]1CNCCO1)c1cnn(n1)-c1ccccc1
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| InChI |
InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1
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| InChIKey |
LDPLZVASDOKHIH-SFHVURJKSA-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