General Information of the Compound
| Compound ID |
CP0559894
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| Compound Name |
US9266877, 187
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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-c1cccc2n(Cc3ccccc3)ncc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C37H28N6O3S/c44-35(41-37-39-30-13-4-5-15-32(30)47-37)27-12-6-10-24-18-19-42(22-29(24)27)33-17-16-26(34(40-33)36(45)46)25-11-7-14-31-28(25)20-38-43(31)21-23-8-2-1-3-9-23/h1-17,20H,18-19,21-22H2,(H,45,46)(H,39,41,44)
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| InChIKey |
ZRMZDOZYFNCSPI-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