General Information of the Compound
| Compound ID |
CP0545911
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| Compound Name |
US9266877, 160
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| Structure |
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| Formula |
C38H41N7O4S
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| Molecular Weight |
691.858
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H41N7O4S/c1-25-29(22-39-45(25)24-38(15-5-2-6-16-38)44-18-20-49-21-19-44)27-12-13-33(41-34(27)36(47)48)43-17-14-26-8-7-9-28(30(26)23-43)35(46)42-37-40-31-10-3-4-11-32(31)50-37/h3-4,7-13,22H,2,5-6,14-21,23-24H2,1H3,(H,47,48)(H,40,42,46)
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| InChIKey |
XIFDSCJJCFTYSL-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