General Information of the Compound
| Compound ID |
CP0395629
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopentylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C26H31NO5
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| Molecular Weight |
437.536
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C26H31NO5/c28-15-22-23(29)24(30)25(31)26(32-22)27-14-19(20-7-3-4-8-21(20)27)13-16-9-11-18(12-10-16)17-5-1-2-6-17/h3-4,7-12,14,17,22-26,28-31H,1-2,5-6,13,15H2/t22-,23-,24+,25-,26-/m1/s1
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| InChIKey |
IDTKJGDPPFHHNC-WSGIOKLISA-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