General Information of the Compound
| Compound ID |
CP0912548
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| Compound Name |
SID99360537
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| Structure |
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| Formula |
C20H19ClN2O5
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| Molecular Weight |
402.834
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| Canonical SMILES |
COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)C(=O)CCl)c1
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| InChI |
InChI=1S/C20H19ClN2O5/c1-27-13-7-8-17(28-2)16(11-13)22(18(24)12-21)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h3-8,11H,9-10,12H2,1-2H3
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| InChIKey |
CYEOPLVNUGTVGD-UHFFFAOYSA-N
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| CAS |
20406-64-8
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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: PT06124, Paired box protein Pax-8