General Information of the Compound
| Compound ID |
CP0567692
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| Compound Name |
US9464076, 86
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| Structure |
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| Formula |
C27H27N3O5S
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| Molecular Weight |
505.596
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC(=O)[C@H](C)N)cccc4n3)c(C)c12
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| InChI |
InChI=1S/C27H27N3O5S/c1-14-23-18(12-34-4)8-9-19(16(3)31)25(23)36-24(14)26(32)30-22-11-10-20-17(6-5-7-21(20)29-22)13-35-27(33)15(2)28/h5-11,15H,12-13,28H2,1-4H3,(H,29,30,32)/t15-/m0/s1
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| InChIKey |
IIPKPGSHRXIFBL-HNNXBMFYSA-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