General Information of the Compound
| Compound ID |
CP0489598
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| Compound Name |
US9464076, 59
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| Structure |
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| Formula |
C30H33N3O4S
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| Molecular Weight |
531.678
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| Canonical SMILES |
COCc1ccc(C(=O)C(C)C)c2sc(C(=O)Nc3cc(CN4CC[C@@H](O)C4)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C30H33N3O4S/c1-17(2)27(35)23-10-9-19(16-37-4)26-18(3)28(38-29(23)26)30(36)32-25-13-20(14-33-12-11-21(34)15-33)22-7-5-6-8-24(22)31-25/h5-10,13,17,21,34H,11-12,14-16H2,1-4H3,(H,31,32,36)/t21-/m1/s1
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| InChIKey |
ALOYKFSYVVEGEM-OAQYLSRUSA-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