General Information of the Compound
| Compound ID |
CP0897508
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| Compound Name |
SID92764012
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| Structure |
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| Formula |
C29H44O10
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| Molecular Weight |
552.661
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| Canonical SMILES |
CO[C@H]1[C@@H](O)[C@@H](O)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@@H]1O
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| InChI |
InChI=1S/C29H44O10/c1-27-8-6-16(38-26-23(33)24(36-3)22(32)25(34)39-26)11-15(27)4-5-18-21(27)19(30)12-28(2)17(7-9-29(18,28)35)14-10-20(31)37-13-14/h10,15-19,21-26,30,32-35H,4-9,11-13H2,1-3H3/t15-,16+,17-,18-,19-,21-,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
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| InChIKey |
OEYCAIBAHDBVQM-GQOSNDETSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8