General Information of the Compound
| Compound ID |
CP0965688
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| Compound Name |
Cyclo-4-amino-7-beta-D-ribofuranosyl-5-(thiophen-2-yl)-7Hpyrrolo[2,3-d]pyrimidine5'-O-phosphate(3'->5')Guanosine5'-O-phosphate(2'->5')
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| Structure |
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| Formula |
C25H27N9O13P2S
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| Molecular Weight |
755.556
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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(-c6cccs6)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/C25H27N9O13P2S/c26-19-13-9(12-2-1-3-50-12)4-33(20(13)29-7-28-19)23-16(36)17-11(45-23)6-43-49(40,41)47-18-15(35)10(5-42-48(38,39)46-17)44-24(18)34-8-30-14-21(34)31-25(27)32-22(14)37/h1-4,7-8,10-11,15-18,23-24,35-36H,5-6H2,(H,38,39)(H,40,41)(H2,26,28,29)(H3,27,31,32,37)/t10-,11-,15-,16-,17-,18-,23-,24-/m1/s1
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| InChIKey |
QBCRTYZRDKHDQX-KRSQEUQLSA-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