General Information of the Compound
| Compound ID |
CP0887478
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| Compound Name |
MMV1527628
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| Structure |
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| Formula |
C18H15ClN2O2S
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| Molecular Weight |
358.85
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| Canonical SMILES |
S=C(NCc1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C18H15ClN2O2S/c19-13-3-7-15(8-4-13)23-16-9-5-14(6-10-16)21-18(24)20-12-17-2-1-11-22-17/h1-11H,12H2,(H2,20,21,24)
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| InChIKey |
ZNKMEDRTTCAOSU-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