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Linifanib (796967-16-3)

Identification
Name:Linifanib
Synonyms:N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea; ABT 869
CAS:796967-16-3
Molecular Formula: C21H18FN5O
Molecular Weight: 375.40
InChI: InChI=1/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
Molecular Structure: (C21H18FN5O) N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea; ABT 869
Properties
Density:1.424
Refractive index:1.766
Specification:

The Linifanib ,its cas register number is 796967-16-3.It also can be called as N-[4-(3-Amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea and the IUPAC name about this chemical is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea .This chemical has antineoplastic activity.

Following are the chemical properties about Linifanib :(1)#H bond acceptors: 6 ; (2)#H bond donors: 5 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 95.83Å2 ; (5)Index of Refraction: 1.766 ; (6)Molar Refractivity: 109.086 cm3 ; (7)Molar Volume: 263.568 cm3 ; (8)Polarizability: 43.245x10-24cm3 ; (9)Surface Tension: 71.714 dyne/cm ; (10)Enthalpy of Vaporization: 82.027 kJ/mol ; (11)Vapour Pressure: 0 mmHg at 25 °C

This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N
(2)InChI: InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) 
(3)InChIKey: MPVGZUGXCQEXTM-UHFFFAOYSA-N

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