General Information of the Compound
| Compound ID |
CP0565326
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| Compound Name |
US9464076, 96
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| Structure |
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| Formula |
C29H30N4O4S
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| Molecular Weight |
530.65
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(cccc4n3)C(=O)N3CCN(C)CC3)c(C)c12
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| InChI |
InChI=1S/C29H30N4O4S/c1-17-25-19(16-37-4)8-9-20(18(2)34)27(25)38-26(17)28(35)31-24-11-10-21-22(6-5-7-23(21)30-24)29(36)33-14-12-32(3)13-15-33/h5-11H,12-16H2,1-4H3,(H,30,31,35)
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| InChIKey |
ZBXXPFPUBVVXJH-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