General Information of the Compound
| Compound ID |
CP0461310
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| Compound Name |
7-benzyl-N-(4-methoxyphenyl)-N,2-dimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
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| Structure |
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| Formula |
C22H23ClN4O
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| Molecular Weight |
394.906
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| Canonical SMILES |
Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12
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| InChI |
InChI=1S/C22H22N4O.ClH/c1-15-24-20-17(13-16-7-5-4-6-8-16)14-23-21(20)22(25-15)26(2)18-9-11-19(27-3)12-10-18;/h4-12,14,23H,13H2,1-3H3;1H
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| InChIKey |
GVYILVRBAJBRKS-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