General Information of the Compound
| Compound ID |
CP0968949
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| Compound Name |
Cyclo-4-amino-5-methyl-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 |
C22H27N9O13P2
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| Molecular Weight |
687.456
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| Canonical SMILES |
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/C22H27N9O13P2/c1-7-2-30(17-10(7)16(23)25-5-26-17)20-13(33)14-9(42-20)4-40-46(37,38)44-15-12(32)8(3-39-45(35,36)43-14)41-21(15)31-6-27-11-18(31)28-22(24)29-19(11)34/h2,5-6,8-9,12-15,20-21,32-33H,3-4H2,1H3,(H,35,36)(H,37,38)(H2,23,25,26)(H3,24,28,29,34)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
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| InChIKey |
MFGDEFIQBGBXIP-NAGRZYTCSA-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