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Gene Set: D4 : Boss - compound 889


Collection D4 : Boss
Chemical Name compound 889 ( From PubChem : DEHP )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
390.556 g/mol 0 4 6.433 False(3/4)
Structure
InChI InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChIKey BJQHLKABXJIVAM-UHFFFAOYSA-N
Links

Gene (6 / 7)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningCYP2C8
BOSSText MiningHOXD13
BOSSText MiningHSD17B4
BOSSText MiningINS
BOSSText MiningRIPK1
PubChem PotencyuM22.387ALDH1A1-GI(Protien) :
ChEMBLPotencynM22387.200ALDH1A1
-Target : CHEMBL3577
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