General Information of the Compound
| Compound ID |
CP0148525
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| Compound Name |
8-(2,4-difluorophenyl)-12-methyl-4-(methylsulfonylmethyl)-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-14-one
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| Structure |
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| Formula |
C23H19F2N3O3S
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| Molecular Weight |
455.486
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| Canonical SMILES |
Cn1cc2CN(c3ccc(F)cc3F)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
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| InChI |
InChI=1S/C23H19F2N3O3S/c1-27-10-14-11-28(20-6-4-15(24)8-18(20)25)19-5-3-13(12-32(2,30)31)7-16(19)17-9-26-23(29)22(27)21(14)17/h3-10H,11-12H2,1-2H3,(H,26,29)
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| InChIKey |
JAXJTEWEPNDQLB-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