Home > Compound List > Compound details
928037-13-2 molecular structure
click picture or here to close

N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

ChemBase ID: 312785
Molecular Formular: C33H37F2N7O4
Molecular Mass: 633.6881864
Monoisotopic Mass: 633.28750914
SMILES and InChIs

SMILES:
c1c(ccc(c1F)NC(=O)C1(C(=O)Nc2ccc(cc2)F)CC1)Oc1cc(ncc1)NC(=O)N1CCC(CC1)N1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
InChI:
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
InChIKey:
UQRCJCNVNUFYDX-UHFFFAOYSA-N

Cite this record

CBID:312785 http://www.chembase.cn/molecule-312785.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
IUPAC Traditional name
N'1-[2-fluoro-4-({2-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonylamino]pyridin-4-yl}oxy)phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Synonyms
E7050
Golvatinib (E7050)
CAS Number
928037-13-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S2859 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
S2859 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.375763  H Acceptors
H Donor LogD (pH = 5.5) 0.49437743 
LogD (pH = 7.4) 2.2777705  Log P 3.5606802 
Molar Refractivity 172.4802 cm3 Polarizability 63.812157 Å3
Polar Surface Area 119.14 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
c-Met, VEGFR expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle