General Information of the Compound
| Compound ID |
CP0465861
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| Compound Name |
US9464076, 47
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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(CN4CC(O)C4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C27H27N3O4S/c1-15-24-17(14-34-3)8-9-20(16(2)31)26(24)35-25(15)27(33)29-23-10-18(11-30-12-19(32)13-30)21-6-4-5-7-22(21)28-23/h4-10,19,32H,11-14H2,1-3H3,(H,28,29,33)
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| InChIKey |
QPIDWPNQPKXARI-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