General Information of the Compound
| Compound ID |
CP0444860
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| Compound Name |
4-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylcarbamoyl]benzenesulfonyl fluoride
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| Formula |
C23H29FN6O7S
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| Molecular Weight |
552.585
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)S(F)(=O)=O)ncnc12
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| InChI |
InChI=1S/C23H29FN6O7S/c24-38(35,36)15-7-5-14(6-8-15)22(34)26-10-4-2-1-3-9-25-20-17-21(28-12-27-20)30(13-29-17)23-19(33)18(32)16(11-31)37-23/h5-8,12-13,16,18-19,23,31-33H,1-4,9-11H2,(H,26,34)(H,25,27,28)/t16-,18-,19-,23-/m1/s1
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| InChIKey |
GVIFZCXGNNLXDH-DYVMYPEFSA-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