General Information of the Compound
| Compound ID |
CP0382954
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| Compound Name |
(2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C26H24N10O10
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| Molecular Weight |
636.538
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1
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| InChIKey |
JMUWJCGJJPZQEP-CMCWBKRRSA-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