General Information of the Compound
| Compound ID |
CP0219081
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| Compound Name |
17-methoxy-14,14-dioxo-14lambda6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one
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| Structure |
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| Formula |
C28H27N5O4S
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| Molecular Weight |
529.622
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13
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| InChI |
InChI=1S/C28H27N5O4S/c1-37-28-25-15-21(17-31-28)19-5-6-24-23(14-19)26(7-10-29-24)33-11-8-18(9-12-33)16-30-27(34)20-3-2-4-22(13-20)38(35,36)32-25/h2-7,10,13-15,17-18,32H,8-9,11-12,16H2,1H3,(H,30,34)
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| InChIKey |
SVVPWFQAOJGFRQ-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