General Information of the Compound
| Compound ID |
CP0480731
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| Compound Name |
US8791272, 9.26
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| Structure |
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| Formula |
C27H39N3O3
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| Molecular Weight |
453.627
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)C(=O)NC2CCC(CC2)C(C)(C)C)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C27H39N3O3/c1-6-23-22(16-25(31)32)24(7-2)30(29-23)17-18-8-10-19(11-9-18)26(33)28-21-14-12-20(13-15-21)27(3,4)5/h8-11,20-21H,6-7,12-17H2,1-5H3,(H,28,33)(H,31,32)
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| InChIKey |
KPCJDFQAYSRNBR-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