General Information of the Compound
| Compound ID |
CP0864713
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| Compound Name |
(2R,3R,4S,5S,6R)-2-(4-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C30H39N7O5
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| Molecular Weight |
577.686
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cn([C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)nn5)CC4)cccc3[nH]2)cc1
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| InChI |
InChI=1S/C30H39N7O5/c1-30(2,3)19-9-7-18(8-10-19)28-31-21-5-4-6-22(24(21)32-28)36-13-11-35(12-14-36)15-20-16-37(34-33-20)29-27(41)26(40)25(39)23(17-38)42-29/h4-10,16,23,25-27,29,38-41H,11-15,17H2,1-3H3,(H,31,32)/t23-,25-,26+,27-,29-/m1/s1
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| InChIKey |
MNUIAJNCYZIPPI-IOLXHVLYSA-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