General Information of the Compound
| Compound ID |
CP0549049
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| Compound Name |
18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26,28-heptazahexacyclo[20.5.2.12,5.110,14.117,21.025,28]dotriaconta-1(27),2(32),3,10(31),11,13,17,19,21(30),22(29),23,25-dodecaen-9-one
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| Structure |
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| Formula |
C25H21N7O4S
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| Molecular Weight |
515.555
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2cn13
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| InChI |
InChI=1S/C25H21N7O4S/c1-36-25-21-10-18(11-28-25)17-5-6-23-27-13-22(32(23)15-17)19-12-29-31(14-19)8-7-26-24(33)16-3-2-4-20(9-16)37(34,35)30-21/h2-6,9-15,30H,7-8H2,1H3,(H,26,33)
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| InChIKey |
OYWBQBWKKZQNEG-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