Chemical Components in the PDB

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FVV : Summary

Code

FVV

One-letter code

X

Molecule name

10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole

Systematic names

ProgramVersionName
ACDLabs 12.01 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
OpenEye OEToolkits 2.0.6 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2~{H}-pyrimido[1,2-a]benzimidazole

Formula

C17 H16 F N3

Formal charge

0

Molecular weight

281.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
SMILES CACTVS 3.385 Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F
Canonical SMILES CACTVS 3.385 Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F

IUPAC InChI

InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2

IUPAC InChI key

LXOFDRFYSDHQTI-UHFFFAOYSA-N
FVV

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-22

Last modified at

2019-03-22

Status

Released

Obsoleted

Not Assigned