General Information of the Compound
| Compound ID |
CP0889305
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| Compound Name |
SID92764343
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| Structure |
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| Formula |
C28H31N3O14
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| Molecular Weight |
633.563
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| Canonical SMILES |
COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21
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| InChI |
InChI=1S/C28H31N3O14/c1-14(32)40-13-20-22(41-15(2)33)23(42-16(3)34)24(43-17(4)35)26(44-20)45-21-12-11-19(25(36)39-5)30-27(37)29(28(38)31(21)30)18-9-7-6-8-10-18/h6-12,19-24,26H,13H2,1-5H3
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| InChIKey |
GFIMWEJQHUYXDX-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8