General Information of the Compound
| Compound ID |
CP0453575
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| Compound Name |
[(1R,2S,4S,5S)-4-(6-amino-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 |
C13H19N5O8P2S
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| Molecular Weight |
467.337
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| Canonical SMILES |
CSc1nc(N)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1
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| InChI |
InChI=1S/C13H19N5O8P2S/c1-29-12-16-10(14)9-11(17-12)18(5-15-9)7-2-8(26-28(22,23)24)13(3-6(7)13)4-25-27(19,20)21/h5-8H,2-4H2,1H3,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t6-,7+,8+,13+/m1/s1
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| InChIKey |
KBNSHGSDQAUBLG-SMWKGLLFSA-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