General Information of the Compound
| Compound ID |
CP0481228
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| Compound Name |
US9416127, 20
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H21N5O3/c1-27-17-8-6-16(7-9-17)25-22-12-18(24-25)20(26)23-15-4-2-14(3-5-15)19-13-21-10-11-28-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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| InChIKey |
DDWNMQMFJMRHQF-LJQANCHMSA-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