General Information of the Compound
| Compound ID |
CP0969450
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| Compound Name |
Cyclo-4-amino-5-(pent-1-yn-1-yl)-7-beta-D-ribofuranosyl-7Hpyrrolo[2,3-d]pyrimidine5'-O-Phosphate(3'->5')Guanosine5'-O-Phosphate(2'->5')
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| Structure |
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| Formula |
C26H31N9O13P2
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| Molecular Weight |
739.532
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| Canonical SMILES |
CCCC#Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)c2ncnc(N)c12
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| InChI |
InChI=1S/C26H31N9O13P2/c1-2-3-4-5-11-6-34(21-14(11)20(27)29-9-30-21)24-17(37)18-13(46-24)8-44-50(41,42)48-19-16(36)12(7-43-49(39,40)47-18)45-25(19)35-10-31-15-22(35)32-26(28)33-23(15)38/h6,9-10,12-13,16-19,24-25,36-37H,2-3,7-8H2,1H3,(H,39,40)(H,41,42)(H2,27,29,30)(H3,28,32,33,38)/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1
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| InChIKey |
NRXKRVXXOYRXIG-JIUDXVAXSA-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