General Information of the Compound
| Compound ID |
CP0564315
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| Compound Name |
US9266877, 171
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| Structure |
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| Formula |
C37H37N7O4S2
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| Molecular Weight |
707.882
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| Canonical SMILES |
Cc1[nH]c(C#N)c(CC2CCCCC2)c1-c1ccc(nc1C(=O)NS(C)(=O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H37N7O4S2/c1-22-33(27(30(20-38)39-22)19-23-9-4-3-5-10-23)26-15-16-32(41-34(26)36(46)43-50(2,47)48)44-18-17-24-11-8-12-25(28(24)21-44)35(45)42-37-40-29-13-6-7-14-31(29)49-37/h6-8,11-16,23,39H,3-5,9-10,17-19,21H2,1-2H3,(H,43,46)(H,40,42,45)
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| InChIKey |
IMBYTTKVQBEIBL-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