General Information of the Compound
| Compound ID |
CP0921524
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| Compound Name |
SID121285615
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| Structure |
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| Formula |
C22H17ClN4
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| Molecular Weight |
372.859
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| Canonical SMILES |
Clc1cccc(N2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)c1
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| InChI |
InChI=1S/C22H17ClN4/c23-19-7-4-8-20(12-19)26-14-18-11-17(16-5-2-1-3-6-16)9-10-22(18)27-21(15-26)13-24-25-27/h1-13H,14-15H2
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| InChIKey |
TYKGDEYEZSAHAS-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