General Information of the Compound
| Compound ID |
CP0522163
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| Compound Name |
3-(1,3-Benzodioxol-5-ylmethyl)-4-chloro-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C21H20ClNO6
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| Molecular Weight |
417.845
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc3OCOc3c2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C21H20ClNO6/c22-13-2-1-3-14-18(13)12(6-11-4-5-16-17(7-11)29-10-28-16)8-23(14)21-20(26)19(25)15(24)9-27-21/h1-5,7-8,15,19-21,24-26H,6,9-10H2/t15-,19+,20-,21-/m1/s1
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| InChIKey |
RHBLLHZODNVYOB-CGRMTHRGSA-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