General Information of the Compound
| Compound ID |
CP0903929
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| Compound Name |
SID99361053
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| Structure |
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| Formula |
C28H30O7
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| Molecular Weight |
478.541
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| Canonical SMILES |
COc1cc(C=C2CCCC(=Cc3ccc(OCC4CO4)c(OC)c3)C2=O)ccc1OCC1CO1
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| InChI |
InChI=1S/C28H30O7/c1-30-26-12-18(6-8-24(26)34-16-22-14-32-22)10-20-4-3-5-21(28(20)29)11-19-7-9-25(27(13-19)31-2)35-17-23-15-33-23/h6-13,22-23H,3-5,14-17H2,1-2H3
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| InChIKey |
BFRORTLKQWFNHQ-UHFFFAOYSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1