General Information of the Compound
| Compound ID |
CP0491633
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| Compound Name |
US9266877, 32
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| Structure |
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| Formula |
C37H34N8O3S
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| Molecular Weight |
670.799
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| Canonical SMILES |
Cc1c(cnn1Cc1cccc(n1)N1CCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H34N8O3S/c1-23-28(20-38-45(23)21-25-9-7-13-32(39-25)43-17-4-5-18-43)26-14-15-33(41-34(26)36(47)48)44-19-16-24-8-6-10-27(29(24)22-44)35(46)42-37-40-30-11-2-3-12-31(30)49-37/h2-3,6-15,20H,4-5,16-19,21-22H2,1H3,(H,47,48)(H,40,42,46)
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| InChIKey |
JFCXBWXVXSHFIH-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