General Information of the Compound
| Compound ID |
CP0918088
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| Compound Name |
SID103073556
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| Structure |
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| Formula |
C21H19N3OS
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| Molecular Weight |
361.47
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| Canonical SMILES |
CCc1ccccc1Oc1nc(NCc2ccccc2)nc2ccsc12
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| InChI |
InChI=1S/C21H19N3OS/c1-2-16-10-6-7-11-18(16)25-20-19-17(12-13-26-19)23-21(24-20)22-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,23,24)
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| InChIKey |
LIFPNIHLBOGSQZ-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