General Information of the Compound
| Compound ID |
CP0457244
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| Compound Name |
(1S,3R)-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-acetic acid
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| Structure |
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| Formula |
C12H13N5O2
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| Molecular Weight |
259.269
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](CC(O)=O)C=C1
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| InChI |
InChI=1S/C12H13N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)4-9(18)19/h1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15)/t7-,8-/m0/s1
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| InChIKey |
WTRDNXZHKGNFAR-YUMQZZPRSA-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