General Information of the Compound
| Compound ID |
CP0408955
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| Compound Name |
16-ethylsulfonyl-26-(trifluoromethyl)-2,10,16,24,28,29-hexazapentacyclo[23.3.1.13,7.06,10.017,22]triaconta-1(28),3(30),4,6,17,19,21,25(29),26-nonaen-11-one
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| Structure |
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| Formula |
C27H29F3N6O3S
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| Molecular Weight |
574.629
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| Canonical SMILES |
CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(Nc4ncc(c(NCc5ccccc15)n4)C(F)(F)F)ccc23
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| InChI |
InChI=1S/C27H29F3N6O3S/c1-2-40(38,39)36-13-6-5-9-24(37)35-14-12-18-15-20(10-11-22(18)35)33-26-32-17-21(27(28,29)30)25(34-26)31-16-19-7-3-4-8-23(19)36/h3-4,7-8,10-11,15,17H,2,5-6,9,12-14,16H2,1H3,(H2,31,32,33,34)
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| InChIKey |
WFYYQQDXEBYUGQ-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