General Information of the Compound
| Compound ID |
CP0803430
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| Compound Name |
SID152199723
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| Structure |
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| Formula |
C17H20Cl3NO3
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| Molecular Weight |
392.71
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| Canonical SMILES |
COc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl.Cl
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| InChI |
InChI=1S/C17H19Cl2NO3.ClH/c1-22-16-9-12(10-20-6-7-21)8-15(19)17(16)23-11-13-4-2-3-5-14(13)18;/h2-5,8-9,20-21H,6-7,10-11H2,1H3;1H
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| InChIKey |
DLFUMNKPRNVHHW-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