General Information of the Compound
| Compound ID |
CP0562948
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| Compound Name |
4-ethylsulfonyl-22-methyl-8,18-dioxa-22-azatetracyclo[17.4.0.02,7.09,14]tricosa-1(23),2(7),3,5,9,11,13,19-octaen-21-one
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| Structure |
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| Formula |
C23H23NO5S
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| Molecular Weight |
425.506
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| Canonical SMILES |
CCS(=O)(=O)c1ccc2Oc3ccccc3CCCOc3cc(=O)n(C)cc3-c2c1
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| InChI |
InChI=1S/C23H23NO5S/c1-3-30(26,27)17-10-11-21-18(13-17)19-15-24(2)23(25)14-22(19)28-12-6-8-16-7-4-5-9-20(16)29-21/h4-5,7,9-11,13-15H,3,6,8,12H2,1-2H3
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| InChIKey |
AGVMOISFBMDLSM-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