General Information of the Compound
| Compound ID |
CP0915723
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| Compound Name |
Cyclo-4-amino-5-ethynyl-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]-pyrimidine5'-O-Phosphate(3'->5')Guanosine5'-O-Phosphate(2'->5')
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| Structure |
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| Formula |
C23H25N9O13P2
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| Molecular Weight |
697.451
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| Canonical SMILES |
C#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/C23H25N9O13P2/c1-2-8-3-31(18-11(8)17(24)26-6-27-18)21-14(34)15-10(43-21)5-41-47(38,39)45-16-13(33)9(4-40-46(36,37)44-15)42-22(16)32-7-28-12-19(32)29-23(25)30-20(12)35/h1,3,6-7,9-10,13-16,21-22,33-34H,4-5H2,(H,36,37)(H,38,39)(H2,24,26,27)(H3,25,29,30,35)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1
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| InChIKey |
FOGNISUNIWETND-LAMCKDNKSA-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