General Information of the Compound
| Compound ID |
CP0556160
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| Compound Name |
US9266877, 60
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| Structure |
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| Formula |
C34H34N6O3S
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| Molecular Weight |
606.752
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CCC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H34N6O3S/c41-32(38-34-36-28-11-4-5-12-29(28)44-34)26-10-6-9-23-16-17-39(21-27(23)26)30-14-13-25(31(37-30)33(42)43)24-19-35-40(20-24)18-15-22-7-2-1-3-8-22/h4-6,9-14,19-20,22H,1-3,7-8,15-18,21H2,(H,42,43)(H,36,38,41)
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| InChIKey |
GTLYUTZKCGNYMV-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