General Information of the Compound
| Compound ID |
CP0523919
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| Compound Name |
US9266877, 116
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| Structure |
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| Formula |
C36H31N5O4S
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| Molecular Weight |
629.742
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H31N5O4S/c37-20-27-24(11-7-14-30(27)45-23-9-2-1-3-10-23)25-16-17-32(39-33(25)35(43)44)41-19-18-22-8-6-12-26(28(22)21-41)34(42)40-36-38-29-13-4-5-15-31(29)46-36/h4-8,11-17,23H,1-3,9-10,18-19,21H2,(H,43,44)(H,38,40,42)
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| InChIKey |
HWKFSNIDXXMKBT-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