General Information of the Compound
| Compound ID |
CP0494622
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| Compound Name |
4-Chloro-3-[4-(2-phenoxyethoxy)benzyl]-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C28H28ClNO6
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| Molecular Weight |
509.986
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(OCCOc3ccccc3)cc2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C28H28ClNO6/c29-22-7-4-8-23-25(22)19(16-30(23)28-27(33)26(32)24(31)17-36-28)15-18-9-11-21(12-10-18)35-14-13-34-20-5-2-1-3-6-20/h1-12,16,24,26-28,31-33H,13-15,17H2/t24-,26+,27-,28-/m1/s1
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| InChIKey |
UBKMNRKVYJNQMB-KCPYNUOSSA-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