General Information of the Compound
| Compound ID |
CP0741928
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| Compound Name |
SID24785450
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| Structure |
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| Formula |
C19H29ClN2O4
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| Molecular Weight |
384.904
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| Canonical SMILES |
CCCOc1ccc(C(=O)CCN2CCN(C(=O)OCC)CC2)cc1.Cl
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| InChI |
InChI=1S/C19H28N2O4.ClH/c1-3-15-25-17-7-5-16(6-8-17)18(22)9-10-20-11-13-21(14-12-20)19(23)24-4-2;/h5-8H,3-4,9-15H2,1-2H3;1H
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| InChIKey |
MLAGISNHRSIMML-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