Chemical Components in the PDB

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70L : Summary

Code

70L

One-letter code

X

Molecule name

1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 1-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]-~{N}-ethyl-cyclobutane-1-carboxamide

Formula

C24 H25 N5 O2

Formal charge

0

Molecular weight

415.488 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCNC(=O)C1(CCC1)c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2
SMILES OpenEye OEToolkits 2.0.5 CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4
Canonical SMILES CACTVS 3.385 CCNC(=O)C1(CCC1)c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2
Canonical SMILES OpenEye OEToolkits 2.0.5 CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4

IUPAC InChI

InChI=1S/C24H25N5O2/c1-2-26-22(31)24(10-5-11-24)17-8-9-19-18(12-17)20(28-23(25)27-19)21(30)29-13-15-6-3-4-7-16(15)14-29/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,26,31)(H2,25,27,28)

IUPAC InChI key

LPUMTECTUIKIIR-UHFFFAOYSA-N
70L

wwPDB Information

Atom count

56 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-08-08

Last modified at

2017-11-24

Status

Released

Obsoleted

Not Assigned