General Information of the Compound
| Compound ID |
CP0964231
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| Compound Name |
Cyclo-4-amino-5-(naphthalen-2-yl)-7-beta-D-ribofuranosyl-7Hpyrrolo[2,3-d]pyrimidine5'-O-phosphate(3'->5')Guanosine5'-O-phosphate(2'->5')
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| Structure |
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| Formula |
C31H31N9O13P2
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| Molecular Weight |
799.587
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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(-c6ccc7ccccc7c6)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/C31H31N9O13P2/c32-25-19-16(15-6-5-13-3-1-2-4-14(13)7-15)8-39(26(19)35-11-34-25)29-22(42)23-18(51-29)10-49-55(46,47)53-24-21(41)17(9-48-54(44,45)52-23)50-30(24)40-12-36-20-27(40)37-31(33)38-28(20)43/h1-8,11-12,17-18,21-24,29-30,41-42H,9-10H2,(H,44,45)(H,46,47)(H2,32,34,35)(H3,33,37,38,43)/t17-,18-,21-,22-,23-,24-,29-,30-/m1/s1
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| InChIKey |
WJLIAVJISSGMFR-ZNIDUGPUSA-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