General Information of the Compound
| Compound ID |
CP0387445
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| Compound Name |
(2R,3R,4S,5S)-2-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-5-(5-methyl-1H-tetrazol-1-yl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C34H40N12O2
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| Molecular Weight |
648.776
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| Canonical SMILES |
CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@@H]([C@@H](O)[C@H]4O)n4nnnc4C)c3n2)c1
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| InChI |
InChI=1S/C34H40N12O2/c1-21(2)44-18-25(37-19-44)14-15-35-34-39-32(36-17-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24)29-33(40-34)45(20-38-29)27-16-28(31(48)30(27)47)46-22(3)41-42-43-46/h4-13,18-21,26-28,30-31,47-48H,14-17H2,1-3H3,(H2,35,36,39,40)/t27-,28+,30+,31-/m1/s1
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| InChIKey |
IMXHSAQVSOGNKP-HNRHMXCFSA-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