General Information of the Compound
| Compound ID |
CP0441659
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| Compound Name |
[(1R,2S,4S,5S)-4-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
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| Structure |
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| Formula |
C14H21N5O8P2S
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| Molecular Weight |
481.364
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| Canonical SMILES |
CNc1nc(SC)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
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| InChI |
InChI=1S/C14H21N5O8P2S/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8+,9+,14+/m1/s1
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| InChIKey |
AVJWGKNPHWXPQA-JWUFEOHASA-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