General Information of the Compound
| Compound ID |
CP0567175
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| Compound Name |
4-ethylsulfonyl-21-methyl-8,17-dioxa-21-azatetracyclo[16.4.0.02,7.09,14]docosa-1(22),2(7),3,5,9,11,13,18-octaen-20-one
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| Structure |
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| Formula |
C22H21NO5S
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| Molecular Weight |
411.479
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| Canonical SMILES |
CCS(=O)(=O)c1ccc2Oc3ccccc3CCOc3cc(=O)n(C)cc3-c2c1
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| InChI |
InChI=1S/C22H21NO5S/c1-3-29(25,26)16-8-9-20-17(12-16)18-14-23(2)22(24)13-21(18)27-11-10-15-6-4-5-7-19(15)28-20/h4-9,12-14H,3,10-11H2,1-2H3
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| InChIKey |
PSZPPDUGQXQAJP-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