General Information of the Compound
| Compound ID |
CP0520550
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| Compound Name |
US8993565, 46
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| Structure |
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| Formula |
C23H31N5O5
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| Molecular Weight |
457.531
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C23H31N5O5/c1-23(2,3)33-22(31)24-8-7-16-5-4-6-17(13-16)25-20(29)14-18-26-19(15-21(30)27-18)28-9-11-32-12-10-28/h4-6,13,15H,7-12,14H2,1-3H3,(H,24,31)(H,25,29)(H,26,27,30)
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| InChIKey |
STHIBVGAFABBFS-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