General Information of the Compound
| Compound ID |
CP0196821
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| Compound Name |
N-[4-fluoro-3-[[14-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C33H31FN4O4S
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| Molecular Weight |
598.7
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| Canonical SMILES |
Fc1ccc(NC(=O)c2cccs2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NCCN2CCOCC2)c1
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| InChI |
InChI=1S/C33H31FN4O4S/c34-28-10-8-25(37-33(41)30-2-1-17-43-30)20-29(28)36-24-7-9-26-22(18-24)5-3-21-4-6-23(19-27(21)31(26)39)32(40)35-11-12-38-13-15-42-16-14-38/h1-2,4,6-10,17-20,36H,3,5,11-16H2,(H,35,40)(H,37,41)
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| InChIKey |
FJESFDXNJMFUKR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound