General Information of the Compound
| Compound ID |
CP0543503
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| Compound Name |
12-chloro-23-methyl-4-(methylsulfonylmethyl)-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
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| Structure |
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| Formula |
C24H24ClNO5S
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| Molecular Weight |
473.978
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| Canonical SMILES |
Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O
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| InChI |
InChI=1S/C24H24ClNO5S/c1-26-14-20-19-11-16(15-32(2,28)29)6-8-22(19)31-21-9-7-18(25)12-17(21)5-3-4-10-30-23(20)13-24(26)27/h6-9,11-14H,3-5,10,15H2,1-2H3
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| InChIKey |
VQUNBKUXJFPQGY-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