General Information of the Compound
| Compound ID |
CP0501193
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| Compound Name |
N-[[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methyl]-N-cyclopropylacetamide
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| Structure |
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| Formula |
C25H30ClNO6
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| Molecular Weight |
475.969
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| Canonical SMILES |
CC(=O)N(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1CC1
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| InChI |
InChI=1S/C25H30ClNO6/c1-14(29)27(19-7-8-19)12-16-4-2-15(3-5-16)10-18-11-17(6-9-20(18)26)25-24(32)23(31)22(30)21(13-28)33-25/h2-6,9,11,19,21-25,28,30-32H,7-8,10,12-13H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
WNVSPPALEQAZJV-RXFVIIJJSA-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