General Information of the Compound
| Compound ID |
CP0969805
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| Compound Name |
Cyclo-4-amino-5-cyclopropyl-7-beta-D-ribofuranosyl-7H-pyrrolo-[2,3-d]pyrimidine5'-O-Phosphate(3'->5')Guanosine5'-OPhosphate(2'->5')
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| Structure |
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| Formula |
C24H29N9O13P2
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| Molecular Weight |
713.494
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| Canonical SMILES |
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(C6CC6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C24H29N9O13P2/c25-18-12-9(8-1-2-8)3-32(19(12)28-6-27-18)22-15(35)16-11(44-22)5-42-48(39,40)46-17-14(34)10(4-41-47(37,38)45-16)43-23(17)33-7-29-13-20(33)30-24(26)31-21(13)36/h3,6-8,10-11,14-17,22-23,34-35H,1-2,4-5H2,(H,37,38)(H,39,40)(H2,25,27,28)(H3,26,30,31,36)/t10-,11-,14-,15-,16-,17-,22-,23-/m1/s1
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| InChIKey |
SVLAIQZWTIQXOL-FRZFILDFSA-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