General Information of the Compound
| Compound ID |
CP0160045
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| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-9-amino-8-(6-aminopurin-9-yl)-3,12,18-trihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
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| Structure |
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| Formula |
C20H25N11O12P2
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| Molecular Weight |
673.433
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| Canonical SMILES |
N[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc12)[C@@H]3O)n1cnc2c1nc(N)[nH]c2=O
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| InChI |
InChI=1S/C20H25N11O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2,21H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1
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| InChIKey |
XCBICKGEMRFEML-XBNNLADJSA-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