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ILQ : Summary

Code

ILQ

One-letter code

X

Molecule name

(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide

Formula

C35 H42 Cl N5 O4 Si

Formal charge

0

Molecular weight

660.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
SMILES OpenEye OEToolkits 2.0.7 CNc1ccc2c(c1)[Si](c3cc(ccc3C24c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C
Canonical SMILES CACTVS 3.385 CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C@@]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
Canonical SMILES OpenEye OEToolkits 2.0.7 CNc1ccc2c(c1)[Si](c3cc(ccc3[C@]24c5cc(ccc5C(=O)N4C#N)C(=O)NCCOCCOCCCCCCCl)N)(C)C

IUPAC InChI

InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1

IUPAC InChI key

FJKIBVRSCRUAPC-PGUFJCEWSA-N
ILQ

wwPDB Information

Atom count

88 (46 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-04-06

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned