General Information of the Compound
| Compound ID |
CP0571347
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| Compound Name |
N-(3,5-difluoro-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)methanesulfonamide
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| Formula |
C21H29F2N3O6S
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| Molecular Weight |
489.541
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| Canonical SMILES |
CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3nc(OCCOC(=O)N12)c(F)cc3F
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| InChI |
InChI=1S/C21H29F2N3O6S/c1-12-9-17(25-33(2,28)29)18-11-32-14-5-3-13(4-6-14)19-15(22)10-16(23)20(24-19)30-7-8-31-21(27)26(12)18/h10,12-14,17-18,25H,3-9,11H2,1-2H3
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| InChIKey |
AHDQPITWFVUJKR-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