General Information of the Compound
| Compound ID |
CP0508795
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| Compound Name |
4-Chloro-3-(4-phenylbenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C26H24ClNO4
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| Molecular Weight |
449.934
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)-c2ccccc2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C26H24ClNO4/c27-20-7-4-8-21-23(20)19(14-28(21)26-25(31)24(30)22(29)15-32-26)13-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-12,14,22,24-26,29-31H,13,15H2/t22-,24+,25-,26-/m1/s1
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| InChIKey |
SUZMYAKJIQEHGV-BIGMCNFVSA-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