General Information of the Compound
| Compound ID |
CP0429554
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| Compound Name |
N-[8-(2,4-difluorophenyl)-15-methyl-14-oxo-6,8,12,15-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-4-yl]ethanesulfonamide
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| Structure |
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| Formula |
C22H19F2N5O3S
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| Molecular Weight |
471.489
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| Canonical SMILES |
CCS(=O)(=O)Nc1cnc2N(Cc3c[nH]c4c3c(cn(C)c4=O)-c2c1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C22H19F2N5O3S/c1-3-33(31,32)27-14-7-15-16-11-28(2)22(30)20-19(16)12(8-25-20)10-29(21(15)26-9-14)18-5-4-13(23)6-17(18)24/h4-9,11,25,27H,3,10H2,1-2H3
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| InChIKey |
DQYBUJCFNSRZJP-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