General Information of the Compound
| Compound ID |
CP0520353
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| Compound Name |
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxan-2-yl]methyl acetate
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| Structure |
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| Formula |
C30H30N4O9S
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| Molecular Weight |
622.656
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| Canonical SMILES |
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
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| InChI |
InChI=1S/C30H30N4O9S/c1-16(35)39-15-24-25(40-17(2)36)26(41-18(3)37)27(42-19(4)38)29(43-24)44-30-33-32-28(34(30)21-11-6-5-7-12-21)23-14-20-10-8-9-13-22(20)31-23/h5-14,24-27,29,31H,15H2,1-4H3/t24-,25-,26+,27-,29+/m1/s1
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| InChIKey |
QCGVJZXTRBZHDC-QLZLUGFASA-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