General Information of the Compound
Compound ID
CP0240846
Compound Name
GS-333126
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Synonyms
1000787-75-6
5-((6-(2,4-bis(Trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-;5H-Imidazo[4,5-c]pyridine, 5-[[6-[2,4-bis(trifluoromethyl)phenyl]-3-pyridazinyl]methyl]-2-(2-fluorophenyl)-
5NOK5X389M
CHEMBL1957287
DTXSID80142917
GS 333126
GS 9190
GS-333126
GS-9190
SCHEMBL496778
Tegobuvir
Tegobuvir (USAN/INN)
Tegobuvir [USAN:INN]
UNII-5NOK5X389M
W-204340
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Structure
Formula
C25H14F7N5
Molecular Weight
517.408
Canonical SMILES
Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1
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InChI
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
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InChIKey
XBEQSQDCBSKCHJ-UHFFFAOYSA-N
CAS
1000787-75-6
Physicochemical Property
logP
6.7319
Rotatable Bonds
4
Heavy Atom Count
37
Polar Areas
56.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
37

"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).

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PubChem ID
CID: 23649154
SID: 46520741
ChEMBL ID
CHEMBL1957287
DrugBank ID
DB11852
Clinical Information about the Compound
Drug 1 ( Tegobuvir )
Drug Name Tegobuvir
Company Gilead
Indication
Hepatitis C virus infection
Phase 2