General Information of the Compound
| Compound ID |
CP0521418
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(1-methyl-1Hindazol-3-yl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H23ClN4O5S
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| Molecular Weight |
502.98
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| Canonical SMILES |
Cn1nc(-c2nnc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)s2)c2ccccc12
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| InChI |
InChI=1S/C23H23ClN4O5S/c1-28-15-5-3-2-4-13(15)18(27-28)23-26-25-17(34-23)9-12-8-11(6-7-14(12)24)22-21(32)20(31)19(30)16(10-29)33-22/h2-8,16,19-22,29-32H,9-10H2,1H3/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
JAKRNMMDXPVKSB-OSKXVONFSA-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