General Information of the Compound
| Compound ID |
CP0920680
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| Compound Name |
diammonium (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-[(hydrogen phosphonatooxy)methyl]oxolan-3-yl hydrogen phosphate
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| Structure |
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| Formula |
C10H20ClN7O9P2
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| Molecular Weight |
479.711
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| Canonical SMILES |
N.N.Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1
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| InChI |
InChI=1S/C10H14ClN5O9P2.2H3N/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19;;/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22);2*1H3/t4-,5+,6+;;/m0../s1
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| InChIKey |
OOKVOYTVVUNTHY-FVALZTRZSA-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