General Information of the Compound
| Compound ID |
CP0412485
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| Compound Name |
9-(2-chloro-4,6-dimethoxyphenyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpurin-6-amine
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| Structure |
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| Formula |
C21H28ClN5O4
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| Molecular Weight |
449.939
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| Canonical SMILES |
COCCCN(CCOC)c1nc(C)nc2n(cnc12)-c1c(Cl)cc(OC)cc1OC
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| InChI |
InChI=1S/C21H28ClN5O4/c1-14-24-20(26(8-10-29-3)7-6-9-28-2)18-21(25-14)27(13-23-18)19-16(22)11-15(30-4)12-17(19)31-5/h11-13H,6-10H2,1-5H3
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| InChIKey |
NGTQGJQTVUJPJE-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