General Information of the Compound
| Compound ID |
CP0557164
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| Compound Name |
US8791272, 2.27
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| Structure |
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
CCCc1c(C)cccc1C(=O)Nc1ccc(Cn2nc(CC)c(CC(O)=O)c2CC)cc1
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| InChI |
InChI=1S/C27H33N3O3/c1-5-9-21-18(4)10-8-11-22(21)27(33)28-20-14-12-19(13-15-20)17-30-25(7-3)23(16-26(31)32)24(6-2)29-30/h8,10-15H,5-7,9,16-17H2,1-4H3,(H,28,33)(H,31,32)
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| InChIKey |
RVBPJSSTHJXJRT-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