General Information of the Compound
| Compound ID |
CP0420658
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-cyclobutylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCC2)c2ccccc12
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| InChI |
InChI=1S/C25H29NO5/c27-14-21-22(28)23(29)24(30)25(31-21)26-13-18(19-6-1-2-7-20(19)26)12-15-8-10-17(11-9-15)16-4-3-5-16/h1-2,6-11,13,16,21-25,27-30H,3-5,12,14H2/t21-,22-,23+,24-,25-/m1/s1
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| InChIKey |
IZHPVQBSCBLDJU-NHTNDUFYSA-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