General Information of the Compound
| Compound ID |
CP0377488
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| Compound Name |
18-methylsulfonyl-28-(trifluoromethyl)-2,10,18,20,26,30,31-heptazahexacyclo[25.3.1.13,7.112,16.06,10.019,24]tritriaconta-1(30),3(33),4,6,12,14,16(32),19(24),20,22,27(31),28-dodecaen-11-one
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| Structure |
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| Formula |
C28H24F3N7O3S
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| Molecular Weight |
595.607
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| Canonical SMILES |
CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23
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| InChI |
InChI=1S/C28H24F3N7O3S/c1-42(40,41)38-16-17-4-2-5-19(12-17)26(39)37-11-9-18-13-21(7-8-23(18)37)35-27-34-15-22(28(29,30)31)24(36-27)33-14-20-6-3-10-32-25(20)38/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H2,33,34,35,36)
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| InChIKey |
VTFLNPMNLYUXBL-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
Protein ID: PT01141, Focal adhesion kinase 1
Protein ID: PT01098, Protein-tyrosine kinase 2-beta