General Information of the Compound
| Compound ID |
CP0072340
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
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| Synonyms |
I-kappaB kinase beta inhibitor (dermatological, atopic dermatitis/acne), Institute of Medicinal MolecularDesign
I-kappaB kinase beta inhibitor (oral, rheumatoid arthritis/osteoporosis), IMMD
IKK-beta inhibitor (dermatological, atopic dermatitis/acne), IMMD
IL-6 release inhibitor (oral, rheumatoid arthritis/osteoporosis), IMMD
IMD-0354
IMD-2560
IMD-2560)
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| Structure |
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| Formula |
C15H8ClF6NO2
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| Molecular Weight |
383.675
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| Canonical SMILES |
Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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| InChIKey |
CHILCFMQWMQVAL-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT04758, P2X purinoceptor 1
Protein ID: PT04148, P2X purinoceptor 2
Protein ID: PT03393, P2X purinoceptor 3
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7
Clinical Information about the Compound