General Information of the Compound
| Compound ID |
CP0917830
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| Compound Name |
SID49649756
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| Structure |
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| Formula |
C20H15Cl2N3O
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| Molecular Weight |
384.266
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| Canonical SMILES |
Cl.Oc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1
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| InChI |
InChI=1S/C20H14ClN3O.ClH/c21-17-10-3-1-8-15(17)19-23-18-11-4-2-9-16(18)20(24-19)22-13-6-5-7-14(25)12-13;/h1-12,25H,(H,22,23,24);1H
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| InChIKey |
FCYSLZZIIUAIHA-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