General Information of the Compound
| Compound ID |
CP0553587
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| Compound Name |
US9416127, 24
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| Structure |
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| Formula |
C20H21N5O2
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| Molecular Weight |
363.421
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| Canonical SMILES |
Cc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-13-18(23-24-25)20(26)22-16-7-5-15(6-8-16)19-12-21-9-10-27-19/h2-8,11,13,19,21H,9-10,12H2,1H3,(H,22,26)/t19-/m1/s1
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| InChIKey |
UPDYWSVDFUSRIB-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