General Information of the Compound
| Compound ID |
CP0956914
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| Compound Name |
Cyclo-4-amino-5-(1,2-dihydroacenaphthylen-5-yl)-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 |
C33H33N9O13P2
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| Molecular Weight |
825.625
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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(-c6ccc7c8c(cccc68)CC7)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/C33H33N9O13P2/c34-27-21-17(15-7-6-14-5-4-13-2-1-3-16(15)20(13)14)8-41(28(21)37-11-36-27)31-24(44)25-19(53-31)10-51-57(48,49)55-26-23(43)18(9-50-56(46,47)54-25)52-32(26)42-12-38-22-29(42)39-33(35)40-30(22)45/h1-3,6-8,11-12,18-19,23-26,31-32,43-44H,4-5,9-10H2,(H,46,47)(H,48,49)(H2,34,36,37)(H3,35,39,40,45)/t18-,19-,23-,24-,25-,26-,31-,32-/m1/s1
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| InChIKey |
WDJOEADYGJCKQO-VVKUOYIHSA-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