General Information of the Compound
Compound ID |
CP0378817
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Compound Name |
2-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-[(2-chloro-3-iodophenyl)methyl]acetamide
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Structure |
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Formula |
C18H18ClIN6O4
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Molecular Weight |
544.737
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Canonical SMILES |
Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O
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InChI |
InChI=1S/C18H18ClIN6O4/c19-12-8(2-1-3-9(12)20)5-22-11(27)4-10-14(28)15(29)18(30-10)26-7-25-13-16(21)23-6-24-17(13)26/h1-3,6-7,10,14-15,18,28-29H,4-5H2,(H,22,27)(H2,21,23,24)/t10-,14-,15-,18?/m1/s1
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InChIKey |
VCWAEDOYGZHEPF-ZBSNKJFMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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