General Information of the Compound
| Compound ID |
CP0805930
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| Compound Name |
2-(6-Amino-2-chloro-purin-9-yl)-5-cyclopropoxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C13H16ClN5O4
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| Molecular Weight |
341.755
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| Canonical SMILES |
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C13H16ClN5O4/c14-13-17-10(15)7-11(18-13)19(4-16-7)12-9(21)8(20)6(23-12)3-22-5-1-2-5/h4-6,8-9,12,20-21H,1-3H2,(H2,15,17,18)/t6-,8-,9-,12-/m1/s1
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| InChIKey |
NISIMUBLAKINBA-WOUKDFQISA-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