General Information of the Compound
| Compound ID |
CP0060303
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| Compound Name |
19-(4-morpholin-4-ylsulfonylphenyl)-1,14,16,22-tetrazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-6-ol
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| Structure |
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| Formula |
C28H39N5O4S
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| Molecular Weight |
541.718
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| Canonical SMILES |
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H39N5O4S/c34-23-8-4-2-1-3-6-14-29-28-30-20-25-26(21-32(27(25)31-28)15-7-5-9-23)22-10-12-24(13-11-22)38(35,36)33-16-18-37-19-17-33/h10-13,20-21,23,34H,1-9,14-19H2,(H,29,30,31)
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| InChIKey |
SCCZGJNJWOJDLN-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