General Information of the Compound
| Compound ID |
CP0569125
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| Compound Name |
US9266877, 169
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| Structure |
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| Formula |
C36H38N6O5S
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| Molecular Weight |
666.804
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCC1)OCCO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H38N6O5S/c1-23-27(20-37-42(23)22-36(47-19-18-43)15-5-2-6-16-36)25-12-13-31(39-32(25)34(45)46)41-17-14-24-8-7-9-26(28(24)21-41)33(44)40-35-38-29-10-3-4-11-30(29)48-35/h3-4,7-13,20,43H,2,5-6,14-19,21-22H2,1H3,(H,45,46)(H,38,40,44)
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| InChIKey |
QTDHFNWYZXYUOP-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