General Information of the Compound
| Compound ID |
CP0508261
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| Compound Name |
2-amino-9-[(1R,6S,8R,9R,15R,17R,18R)-8-(9-aminoimidazo[1,2-a]purin-3-yl)-18-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,11,13,16-pentaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,9]octadecan-17-yl]-1H-purin-6-one
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| Structure |
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| Formula |
C23H26FN11O8P2S2
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| Molecular Weight |
729.61
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)OC[C@@H]3[C@H](C[C@H]3n3cnc4c(N)n5ccnc5nc34)COP(S)(=O)O[C@H]2[C@H]1F
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| InChI |
InChI=1S/C23H26FN11O8P2S2/c24-13-16-12(42-21(13)35-8-29-15-19(35)30-22(26)32-20(15)36)6-41-44(37,46)40-5-10-9(4-39-45(38,47)43-16)3-11(10)34-7-28-14-17(25)33-2-1-27-23(33)31-18(14)34/h1-2,7-13,16,21H,3-6,25H2,(H,37,46)(H,38,47)(H3,26,30,32,36)/t9-,10-,11-,12-,13-,16-,21-,44?,45?/m1/s1
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| InChIKey |
OOLLXBSLUWWWQU-HUNVHSCSSA-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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