General Information of the Compound
| Compound ID |
CP0451775
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| Compound Name |
15-methylsulfonyl-25-(trifluoromethyl)-2,10,15,17,23,27,28-heptazapentacyclo[22.3.1.13,7.06,10.016,21]nonacosa-1(27),3(29),4,6,16(21),17,19,24(28),25-nonaen-11-one
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| Structure |
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| Formula |
C24H24F3N7O3S
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| Molecular Weight |
547.563
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| Canonical SMILES |
CS(=O)(=O)N1CCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5cccnc15)n4)C(F)(F)F)ccc23
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| InChI |
InChI=1S/C24H24F3N7O3S/c1-38(36,37)34-10-3-5-20(35)33-11-8-15-12-17(6-7-19(15)33)31-23-30-14-18(24(25,26)27)21(32-23)29-13-16-4-2-9-28-22(16)34/h2,4,6-7,9,12,14H,3,5,8,10-11,13H2,1H3,(H2,29,30,31,32)
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| InChIKey |
VAISRJZBJKFESC-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