General Information of the Compound
| Compound ID |
CP0646592
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| Compound Name |
(9H-Purin-6-yl)-(3,4,5-trimethoxy-phenyl)-amine hydrochloride
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| Structure |
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| Formula |
C14H16ClN5O3
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| Molecular Weight |
337.767
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| Canonical SMILES |
COc1cc(Nc2[nH]cnc3ncnc2-3)cc(OC)c1OC.Cl
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| InChI |
InChI=1S/C14H15N5O3.ClH/c1-20-9-4-8(5-10(21-2)12(9)22-3)19-14-11-13(16-6-15-11)17-7-18-14;/h4-7H,1-3H3,(H2,15,16,17,18,19);1H
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| InChIKey |
RRKICJNNAMJQSZ-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