General Information of the Compound
| Compound ID |
CP0505706
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| Compound Name |
4-Chloro-3-(2-thienylmethyl)-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C18H18ClNO4S
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| Molecular Weight |
379.865
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2cccs2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C18H18ClNO4S/c19-12-4-1-5-13-15(12)10(7-11-3-2-6-25-11)8-20(13)18-17(23)16(22)14(21)9-24-18/h1-6,8,14,16-18,21-23H,7,9H2/t14-,16+,17-,18-/m1/s1
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| InChIKey |
IAXWTCARUQWWGG-BZZMCLGOSA-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