General Information of the Compound
| Compound ID |
CP0091562
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| Compound Name |
(1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C17H23N5O3
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| Molecular Weight |
345.403
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| Canonical SMILES |
OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
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| InChI |
InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1
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| InChIKey |
PSTJTJSXZYZTNV-ZLQDYUCGSA-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