General Information of the Compound
| Compound ID |
CP0554845
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| Compound Name |
US9029370, 38
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| Structure |
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| Formula |
C16H16Cl2N4O
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| Molecular Weight |
351.237
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(cc2Cl)C2CCNC2)cn1
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| InChI |
InChI=1S/C16H16Cl2N4O/c17-13-7-10(11-5-6-19-8-11)1-3-14(13)22-16(23)21-12-2-4-15(18)20-9-12/h1-4,7,9,11,19H,5-6,8H2,(H2,21,22,23)
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| InChIKey |
LPJMSXKDQBATGX-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