General Information of the Compound
| Compound ID |
CP0498068
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| Compound Name |
Benzyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester
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| Structure |
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| Formula |
C22H26N6O6
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| Molecular Weight |
470.486
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| Canonical SMILES |
O[C@@H]1[C@@H](COC(=O)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
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| InChI |
InChI=1S/C22H26N6O6/c29-17-15(10-33-22(31)23-8-13-4-2-1-3-5-13)34-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-32-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,31)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1
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| InChIKey |
COVZZVJGYWDANC-RXHHNXKZSA-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