General Information of the Compound
| Compound ID |
CP0347605
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| Compound Name |
[4-(4-chlorophenyl)-1-(7H-purin-6-yl)piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C17H19ClN6
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| Molecular Weight |
342.834
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| Canonical SMILES |
NCC1(CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H19ClN6/c18-13-3-1-12(2-4-13)17(9-19)5-7-24(8-6-17)16-14-15(21-10-20-14)22-11-23-16/h1-4,10-11H,5-9,19H2,(H,20,21,22,23)
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| InChIKey |
AWSROHDFGOQSME-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