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P7B

Summary
Name:1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
Formula:C25 H28 N4 O3 S
Formal charge:0
Formula weight:464.58 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
OpenEye OEToolkits1.7.01-[5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]-3-naphthalen-1-yl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2sc(cc2C(=O)N1CCC(=O)NCC1)C(C)(C)C)Nc4c3ccccc3ccc4
SMILES_CANONICALCACTVS3.370CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)C(=O)N4CCNC(=O)CC4
SMILESCACTVS3.370CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)C(=O)N4CCNC(=O)CC4
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4
SMILESOpenEye OEToolkits1.7.0CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4
InChIInChI1.03InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-18(23(31)29-13-11-21(30)26-12-14-29)22(33-20)28-24(32)27-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H,26,30)(H2,27,28,32)
InChIKeyInChI1.03SNHWMEWYAPKRQL-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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