General Information of the Compound
| Compound ID |
CP0562977
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| Compound Name |
2-[2-chloro-7-[(4-chlorophenyl)methyl]-6-morpholin-4-yl-8-oxopurin-9-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C24H22Cl2N6O3
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| Molecular Weight |
513.385
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| Canonical SMILES |
Clc1ccc(Cn2c3c(nc(Cl)nc3n(CC(=O)Nc3ccccc3)c2=O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C24H22Cl2N6O3/c25-17-8-6-16(7-9-17)14-31-20-21(30-10-12-35-13-11-30)28-23(26)29-22(20)32(24(31)34)15-19(33)27-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,27,33)
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| InChIKey |
ULOOZIZLBNRNAM-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