General Information of the Compound
| Compound ID |
CP0761597
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| Compound Name |
2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-methoxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C16H22ClN5O4
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| Molecular Weight |
383.836
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| Canonical SMILES |
COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C16H22ClN5O4/c1-25-6-9-11(23)12(24)15(26-9)22-7-18-10-13(19-8-4-2-3-5-8)20-16(17)21-14(10)22/h7-9,11-12,15,23-24H,2-6H2,1H3,(H,19,20,21)/t9-,11-,12-,15-/m1/s1
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| InChIKey |
BEAMUZQXJYLFAG-SDBHATRESA-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