General Information of the Compound
| Compound ID |
CP0103621
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| Compound Name |
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(chloromethyl)cyclopent-3-ene-1,2-diol
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| Structure |
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| Formula |
C11H12ClN5O2
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| Molecular Weight |
281.703
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1C=C(CCl)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H12ClN5O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h1,3-4,6,8-9,18-19H,2H2,(H2,13,14,15)/t6-,8-,9+/m1/s1
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| InChIKey |
CWXWTVUEORINIV-VDAHYXPESA-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