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SummaryGeometryRelated PDB entries

Z72

Summary
Name:8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one
Formula:C20 H18 Cl2 N2 O4
Formal charge:0
Formula weight:421.274 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one
OpenEye OEToolkits1.7.08-cyclopentyloxy-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cncc(Cl)c1NC=2c4c(OC(=O)C=2)c(OC3CCCC3)c(OC)cc4
SMILES_CANONICALCACTVS3.370COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)cncc4Cl
SMILESCACTVS3.370COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)cncc4Cl
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl
SMILESOpenEye OEToolkits1.7.0COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl
InChIInChI1.03InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)
InChIKeyInChI1.03YUTTWVBLGONANE-UHFFFAOYSA-N

225681

PDB entries from 2024-10-02

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