General Information of the Compound
| Compound ID |
CP0453568
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| Compound Name |
[(1R,2S,4S,5S)-4-[2-[(Z)-hex-1-enyl]-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
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| Structure |
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| Formula |
C19H29N5O8P2
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| Molecular Weight |
517.416
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| Canonical SMILES |
CCCC\C=C/c1nc(NC)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/C19H29N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/b7-6-/t12-,13+,14+,19+/m1/s1
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| InChIKey |
FXDYKJMOVOJLMM-OKPOKPAZSA-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