General Information of the Compound
Compound ID
CP0048535
Compound Name
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
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Synonyms
HY-16586
PF-6405761
PFI-1
QCR-192
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Structure
Formula
C16H17N3O4S
Molecular Weight
347.396
Canonical SMILES
COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
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InChI
InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
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InChIKey
TXZPMHLMPKIUGK-UHFFFAOYSA-N
Physicochemical Property
logP
2.4733
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 71271629
SID: 163504924
ChEMBL ID
CHEMBL2179387
Clinical Information about the Compound
Drug 1 ( PFI-1 )
Drug Name PFI-1
Target(s)
Bromodomain-containing protein 4 (BRD4)
Inhibitor