General Information of the Compound
| Compound ID |
CP0483255
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| Compound Name |
US9464076, 56
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| Structure |
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| Formula |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(N4CCOCC4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C27H27N3O4S/c1-16-24-18(15-33-3)8-9-19(17(2)31)26(24)35-25(16)27(32)29-23-14-22(30-10-12-34-13-11-30)20-6-4-5-7-21(20)28-23/h4-9,14H,10-13,15H2,1-3H3,(H,28,29,32)
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| InChIKey |
HDNGUEPSUUIZML-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