General Information of the Compound
| Compound ID |
CP0405856
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| Compound Name |
US10501411, Example 115
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| Structure |
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| Formula |
C19H23ClN4O
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| Molecular Weight |
358.873
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(CCC3CCCNC3)cc2)nc1
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| InChI |
InChI=1S/C19H23ClN4O/c20-16-7-10-18(22-13-16)24-19(25)23-17-8-5-14(6-9-17)3-4-15-2-1-11-21-12-15/h5-10,13,15,21H,1-4,11-12H2,(H2,22,23,24,25)
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| InChIKey |
KTFZUNOOXPQURS-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1