General Information of the Compound
| Compound ID |
CP0404997
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| Compound Name |
US10501411, Example 44
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| Structure |
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| Formula |
C16H17ClN4O
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| Molecular Weight |
316.792
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(cc2)C2CCNC2)nc1
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| InChI |
InChI=1S/C16H17ClN4O/c17-13-3-6-15(19-10-13)21-16(22)20-14-4-1-11(2-5-14)12-7-8-18-9-12/h1-6,10,12,18H,7-9H2,(H2,19,20,21,22)
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| InChIKey |
MYLRGXYBZWNYRY-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