General Information of the Compound
| Compound ID |
CP0184162
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| Compound Name |
N-[2,4-difluoro-5-[[14-(2-hydroxyethylcarbamoyl)-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 |
C29H23F2N3O4S
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| Molecular Weight |
547.583
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| Canonical SMILES |
OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C29H23F2N3O4S/c30-22-14-23(31)25(34-29(38)26-2-1-11-39-26)15-24(22)33-19-7-8-20-17(12-19)5-3-16-4-6-18(13-21(16)27(20)36)28(37)32-9-10-35/h1-2,4,6-8,11-15,33,35H,3,5,9-10H2,(H,32,37)(H,34,38)
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| InChIKey |
ZBPQDEQSQUZYHD-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