General Information of the Compound
| Compound ID |
CP0558697
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| Compound Name |
4-[10-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]decylcarbamoyl]benzenesulfonyl fluoride
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| Formula |
C27H37FN6O7S
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| Molecular Weight |
608.693
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNC(=O)c3ccc(cc3)S(F)(=O)=O)ncnc12
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| InChI |
InChI=1S/C27H37FN6O7S/c28-42(39,40)19-11-9-18(10-12-19)26(38)30-14-8-6-4-2-1-3-5-7-13-29-24-21-25(32-16-31-24)34(17-33-21)27-23(37)22(36)20(15-35)41-27/h9-12,16-17,20,22-23,27,35-37H,1-8,13-15H2,(H,30,38)(H,29,31,32)/t20-,22-,23-,27-/m1/s1
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| InChIKey |
RSCULPPIQFUALJ-TXJANDSUSA-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