General Information of the Compound
| Compound ID |
CP0424395
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| Compound Name |
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-4-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-2,2-dimethylbut-3-enamide
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| Structure |
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| Formula |
C30H41NO8
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| Molecular Weight |
543.657
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(\C=C\C(C)(C)C(=O)NC(C)(C)CO)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C30H41NO8/c1-17-12-22(34)21(27-26(37)25(36)24(35)23(15-32)39-27)14-20(17)13-19-8-6-18(7-9-19)10-11-29(2,3)28(38)31-30(4,5)16-33/h6-12,14,23-27,32-37H,13,15-16H2,1-5H3,(H,31,38)/b11-10+/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
HXRWAXMICBICQK-IWRPRXAJSA-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