General Information of the Compound
| Compound ID |
CP0826834
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| Compound Name |
SID24815615
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| Structure |
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| Formula |
C21H25BrClN3OS
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| Molecular Weight |
482.875
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| Canonical SMILES |
CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Br)cc2s1.Cl
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| InChI |
InChI=1S/C21H24BrN3OS.ClH/c1-24(2)13-6-14-25(20(26)12-9-16-7-4-3-5-8-16)21-23-18-11-10-17(22)15-19(18)27-21;/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3;1H
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| InChIKey |
MKFCFIJTROTFCH-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: PT06033, Microphthalmia-associated transcription factor