General Information of the Compound
| Compound ID |
CP0537916
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| Compound Name |
4-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-5-thione
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| Structure |
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| Formula |
C28H29N3O4S
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| Molecular Weight |
503.624
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| Canonical SMILES |
S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
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| InChI |
InChI=1S/C28H29N3O4S/c36-28-30-29-20-31(28)27-26(34-18-23-14-8-3-9-15-23)25(33-17-22-12-6-2-7-13-22)24(35-27)19-32-16-21-10-4-1-5-11-21/h1-15,20,24-27H,16-19H2,(H,30,36)/t24-,25-,26-,27-/m1/s1
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| InChIKey |
AHIORVJMAGWPGK-FPCALVHFSA-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