General Information of the Compound
| Compound ID |
CP0425562
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| Compound Name |
US9266877, 22
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| Structure |
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| Formula |
C36H32N8O3S
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| Molecular Weight |
656.772
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(n2)N2CCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H32N8O3S/c45-34(41-36-39-29-10-1-2-11-30(29)48-36)27-9-5-7-23-15-18-43(22-28(23)27)32-14-13-26(33(40-32)35(46)47)24-19-37-44(20-24)21-25-8-6-12-31(38-25)42-16-3-4-17-42/h1-2,5-14,19-20H,3-4,15-18,21-22H2,(H,46,47)(H,39,41,45)
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| InChIKey |
LTEDVMOGBGJUTC-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