General Information of the Compound
| Compound ID |
CP0955337
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| Compound Name |
Cyclo-4-amino-5-(phenanthren-9-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 |
C35H33N9O13P2
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| Molecular Weight |
849.647
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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(-c6cc7ccccc7c7ccccc67)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/C35H33N9O13P2/c36-29-23-20(19-9-15-5-1-2-6-16(15)17-7-3-4-8-18(17)19)10-43(30(23)39-13-38-29)33-26(46)27-22(55-33)12-53-59(50,51)57-28-25(45)21(11-52-58(48,49)56-27)54-34(28)44-14-40-24-31(44)41-35(37)42-32(24)47/h1-10,13-14,21-22,25-28,33-34,45-46H,11-12H2,(H,48,49)(H,50,51)(H2,36,38,39)(H3,37,41,42,47)/t21-,22-,25-,26-,27-,28-,33-,34-/m1/s1
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| InChIKey |
BWLIWSKMFJDEAA-NJVYLJTFSA-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