General Information of the Compound
| Compound ID |
CP0881126
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| Compound Name |
SID92764784
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| Formula |
C18H22BrClN2O6
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| Molecular Weight |
477.739
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| Canonical SMILES |
Cl.O=C1C(Br)=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21
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| InChI |
InChI=1S/C18H21BrN2O6.ClH/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25;/h1-2,22-24H,3-10H2;1H
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| InChIKey |
ZTXPHSRJNZYSEG-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8