General Information of the Compound
| Compound ID |
CP0503348
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| Compound Name |
(R)-Phosphoric acid mono-[(S)-(1S,3R,6R)-2,3-dihydroxy-4-(6-hydroxy-purin-9-yl)-bicyclo[3.1.0]hex-1-ylmethyl] ester
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| Structure |
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| Formula |
C12H15N4O7P
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| Molecular Weight |
358.247
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@]2(COP(O)(O)=O)C[C@@H]2[C@H]1n1cnc2c1nc[nH]c2=O
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| InChI |
InChI=1S/C12H15N4O7P/c17-8-7(16-4-15-6-10(16)13-3-14-11(6)19)5-1-12(5,9(8)18)2-23-24(20,21)22/h3-5,7-9,17-18H,1-2H2,(H,13,14,19)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1
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| InChIKey |
WGWDMWZYYJSDFQ-PHPBVZTRSA-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