General Information of the Compound
| Compound ID |
CP0425494
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| Compound Name |
US10501411, Example 114
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| Structure |
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| Formula |
C18H21ClN4O
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| Molecular Weight |
344.846
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(CCC3CCNC3)cc2)nc1
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| InChI |
InChI=1S/C18H21ClN4O/c19-15-5-8-17(21-12-15)23-18(24)22-16-6-3-13(4-7-16)1-2-14-9-10-20-11-14/h3-8,12,14,20H,1-2,9-11H2,(H2,21,22,23,24)
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| InChIKey |
SHVBUNOMFQIFQT-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