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LG1

Summary
Name:3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
Formula:C22 H17 F2 N2
Formal charge:1
Formula weight:347.381 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridin-13-ium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc5cc4c2c1c(cc(cc1c3c([n+]2C)ccc(F)c3)C)N(c4cc5)C
SMILES_CANONICALCACTVS3.341CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C
SMILESCACTVS3.341CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F
SMILESOpenEye OEToolkits1.5.0Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F
InChIInChI1.03InChI=1S/C22H17F2N2/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22/h4-11H,1-3H3/q+1
InChIKeyInChI1.03FJUYVGXXNUNWDT-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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