General Information of the Compound
| Compound ID |
CP0518833
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| Compound Name |
US9266877, 93
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| Structure |
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| Formula |
C36H32N6O4S
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| Molecular Weight |
644.757
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| Canonical SMILES |
COCCC(c1ccccc1)n1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H32N6O4S/c1-46-19-17-30(24-8-3-2-4-9-24)42-21-25(20-37-42)26-14-15-32(39-33(26)35(44)45)41-18-16-23-10-7-11-27(28(23)22-41)34(43)40-36-38-29-12-5-6-13-31(29)47-36/h2-15,20-21,30H,16-19,22H2,1H3,(H,44,45)(H,38,40,43)
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| InChIKey |
LYFWWUYMRMCXHA-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