General Information of the Compound
| Compound ID |
CP0413988
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| Compound Name |
MLS000709318
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| Structure |
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| Formula |
C26H28BrN3O3
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| Molecular Weight |
510.432
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| Canonical SMILES |
CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H28BrN3O3/c1-18-5-7-20(8-6-18)25(31)29-23(26(32)28-15-4-16-30(2)3)17-22-13-14-24(33-22)19-9-11-21(27)12-10-19/h5-14,17H,4,15-16H2,1-3H3,(H,28,32)(H,29,31)/b23-17-
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| InChIKey |
IFTAUFOEDCOUKF-QJOMJCCJSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8