General Information of the Compound
| Compound ID |
CP0850046
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| Compound Name |
SID99454054
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| Structure |
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| Formula |
C24H25BrN4OS
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| Molecular Weight |
497.462
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| Canonical SMILES |
CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)Cc1cccc(Br)c1
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| InChI |
InChI=1S/C24H25BrN4OS/c1-3-21-24(28(4-2)15-17-7-5-8-19(25)13-17)29-16-18(10-11-22(29)27-21)23(30)26-14-20-9-6-12-31-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,30)
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| InChIKey |
GPLSGCUXPDLMAL-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