General Information of the Compound
| Compound ID |
CP0115456
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| Compound Name |
MLS000574946
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| Structure |
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| Formula |
C20H17NO5
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| Molecular Weight |
351.358
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| Canonical SMILES |
COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34
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| InChI |
InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
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| InChIKey |
ZYKCETVKVRJFGD-UHFFFAOYSA-N
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| CAS |
5574-24-3
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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: PT02805, CREB-binding protein
Protein ID: PT06109, Geminin