General Information of the Compound
| Compound ID |
CP0067834
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| Compound Name |
2-chloro-N-[(3-chlorophenyl)methyl]-7H-purin-6-amine
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| Structure |
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| Formula |
C12H9Cl2N5
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| Molecular Weight |
294.145
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| Canonical SMILES |
Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1
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| InChI |
InChI=1S/C12H9Cl2N5/c13-8-3-1-2-7(4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10/h1-4,6H,5H2,(H2,15,16,17,18,19)
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| InChIKey |
USEGPIPGIHVJSD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3