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Gene Set: D4 : Boss - unii-7gls9acn3l

Collection D4 : Boss
Chemical Name unii-7gls9acn3l ( From PubChem : HEPTACHLOR )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
373.318 g/mol 0 0 5.2415 False(3/4)
Structure
InChI InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H/t3-,4-,5-,8-,9+/m0/s1
InChIKey FRCCEHPWNOQAEU-LDSHLKOWSA-N
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Gene (11 / 14)


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Source Type Unit Value Gene PMID Assay Other
BOSSText MiningDDT
BOSSText MiningKRT5
BOSSText MiningKRT6B
PubChem PotencyuM39.811ATM-GI(Protien) :
PubChem PotencyuM26.603CXCL8-GI(Protien) :
PubChem Potency-Replicate_1uM68.590CYP19A1-GI(Protien) :
PubChem PotencyuM10.000CYP3A4-GI(Protien) :
PubChem NoneuMGNAI1-GI(Protien) :
PubChem Ratio Potency (uM)uM54.704NFE2L2-GI(Protien) :
PubChem Ratio Potency (uM)uM61.131NFE2L2-GI(Protien) :
PubChem NoneuMNR1H4-GI(Protien) :
PubChem NoneuMRGS12-GI(Protien) :
ChEMBLPotencynM39810.700ATM
-Target : CHEMBL3797
ChEMBLPotencynM10000.000CYP3A4
-Target : CHEMBL340
Download gene sets gmt, text, Detailed text
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