General Information of the Compound
| Compound ID |
CP0874987
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| Compound Name |
SID92764858
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| Structure |
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| Formula |
C30H37ClN2O4
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| Molecular Weight |
525.089
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| Canonical SMILES |
COc1ccc2cc(CNCCOCCOCCNCc3ccc4cc(OC)ccc4c3)ccc2c1.Cl
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| InChI |
InChI=1S/C30H36N2O4.ClH/c1-33-29-9-7-25-17-23(3-5-27(25)19-29)21-31-11-13-35-15-16-36-14-12-32-22-24-4-6-28-20-30(34-2)10-8-26(28)18-24;/h3-10,17-20,31-32H,11-16,21-22H2,1-2H3;1H
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| InChIKey |
GZCBAGOWAQOFFP-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8