General Information of the Compound
| Compound ID |
CP0890145
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| Compound Name |
SID22410472
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| Structure |
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| Formula |
C27H21ClN2O4
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| Molecular Weight |
472.928
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| Canonical SMILES |
Cc1ccccc1NC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2C)c1=O
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| InChI |
InChI=1S/C27H21ClN2O4/c1-16-7-3-5-9-22(16)29-26(33)21-13-18(25(32)20-14-19(28)11-12-24(20)31)15-30(27(21)34)23-10-6-4-8-17(23)2/h3-15,31H,1-2H3,(H,29,33)
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| InChIKey |
DZLTXEYMTVULFU-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