General Information of the Compound
| Compound ID |
CP0525180
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| Compound Name |
US9266877, 28
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| Structure |
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| Formula |
C37H28N6O3S
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| Molecular Weight |
636.737
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc3ccccc3c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H28N6O3S/c44-35(41-37-39-31-10-3-4-11-32(31)47-37)29-9-5-8-25-16-17-42(22-30(25)29)33-15-14-28(34(40-33)36(45)46)27-19-38-43(21-27)20-23-12-13-24-6-1-2-7-26(24)18-23/h1-15,18-19,21H,16-17,20,22H2,(H,45,46)(H,39,41,44)
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| InChIKey |
KNQJMTMRQNFGAJ-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