General Information of the Compound
| Compound ID |
CP0921699
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| Compound Name |
2-[6-(5-Hydroxy-bicyclo[2.2.1]hept-2-ylamino)-purin-9-ylmethyl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C18H25N5O5
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| Molecular Weight |
391.428
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| Canonical SMILES |
OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4CC5O)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C18H25N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-9-1-8(10)3-11(9)25/h6-13,15-16,24-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,11?,12-,13+,15-,16+/m0/s1
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| InChIKey |
LFAJUSRSNIDJDN-PVKTVHSPSA-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