FFV

N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

Created:	2018-03-29
Last modified:	2019-02-06

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1 entries where FFV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	17

2D diagram of FFV

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Chemical Component Summary
Name	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}2-(3-chloranyl-4-fluoranyl-phenyl)-~{N}4-[(1~{R})-1-cyclopropylethyl]quinazoline-2,4-diamine
Formula	C₁₉ H₁₈ Cl F N₄
Molecular Weight	356.824
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4
SMILES	CACTVS	3.385	C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3ccccc13)C4CC4
SMILES	OpenEye OEToolkits	2.0.6	CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F
Canonical SMILES	CACTVS	3.385	C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc3ccccc13)C4CC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F
InChI	InChI	1.03	InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1
InChIKey	InChI	1.03	LSMKBOZJAWCJNL-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	137322682
ChEMBL	CHEMBL4245081

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.