General Information of the Compound
| Compound ID |
CP0219091
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| Compound Name |
26-methoxy-23,23-dioxo-23lambda6-thia-6,8,12,16,24,27,32-heptazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
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| Structure |
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| Formula |
C25H19N7O4S
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| Molecular Weight |
513.539
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3[nH]c-2cc13
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| InChI |
InChI=1S/C25H19N7O4S/c1-36-25-21-7-16(12-28-25)20-8-19-22(29-13-30-23(19)31-20)17-5-14(9-26-11-17)10-27-24(33)15-3-2-4-18(6-15)37(34,35)32-21/h2-9,11-13,32H,10H2,1H3,(H,27,33)(H,29,30,31)
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| InChIKey |
QBAIEFIZAFPNRW-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