General Information of the Compound
| Compound ID |
CP0506967
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| Compound Name |
US8993565, 71
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| Structure |
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| Formula |
C23H27N5O5
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| Molecular Weight |
453.499
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| Canonical SMILES |
CC(C)(C)OC(=O)n1ccc2c(NC(=O)Cc3nc(cc(=O)[nH]3)N3CCOCC3)cccc12
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| InChI |
InChI=1S/C23H27N5O5/c1-23(2,3)33-22(31)28-8-7-15-16(5-4-6-17(15)28)24-20(29)13-18-25-19(14-21(30)26-18)27-9-11-32-12-10-27/h4-8,14H,9-13H2,1-3H3,(H,24,29)(H,25,26,30)
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| InChIKey |
VVGQKSVKUYKCNF-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