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Gene Set: D4 : CTD - 4-bromo-A-23187


Collection D4 : CTD
Chemical Name 4-bromo-A-23187 ( From PubChem : 6-BROMO-5-(METHYLAMINO)-2-({(2R,3R,8S,9R,11R)-3,9,11-TRIMETHYL-8-[(2S)-1-OXO-1-(1H-PYRROL-2-YL)PROPAN-2-YL]-1,7-DIOXASPIRO[5.5]UNDEC-2-YL}METHYL)-1,3-BENZOXAZOLE-4-CARBOXYLIC ACID )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
602.517 g/mol 3 8 6.3653 False(2/4)
Structure
InChI InChI=1S/C29H36BrN3O6/c1-14-8-9-29(16(3)11-15(2)27(39-29)17(4)26(34)19-7-6-10-32-19)38-20(14)13-22-33-25-21(37-22)12-18(30)24(31-5)23(25)28(35)36/h6-7,10,12,14-17,20,27,31-32H,8-9,11,13H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,20-,27+,29+/m1/s1
InChIKey LDXQFZZGVTWFCF-FHYGWRBKSA-N
Links

Gene (2 / 2)


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Source Type Unit Value Gene PMID Assay Other
CTDincreases(expression)IVL
C033170
CTDincreases(expression)KRT10
C033170
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