Vismodegib
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
Molecular Identity
Vismodegib
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
PubChem CID: 24776445
Vismodegib can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C19H14Cl2N2O3S
Molecular Formula
421.30
Molecular Weight
g/mol
420.0102
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
84.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
625
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)ClIsomeric SMILES
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)ClSynonyms(20)
Vismodegib879085-55-9GDC-04492-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamideErivedgeHhAntag691GDC0449vismodegibumNSC-7476912-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamideNSC 747691NSC-75598625X868M3DS2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamideRG-3616
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vismodegib
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