General Information of the Compound
| Compound ID |
CP0488373
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| Compound Name |
US10501411, Example 4
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2cnco2)cc1
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| InChI |
InChI=1S/C21H23N5O2/c1-25-10-12-26(13-11-25)19-8-6-18(7-9-19)24-21(27)23-17-4-2-16(3-5-17)20-14-22-15-28-20/h2-9,14-15H,10-13H2,1H3,(H2,23,24,27)
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| InChIKey |
JPBBSEUTVZQXIV-UHFFFAOYSA-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