General Information of the Compound
| Compound ID |
CP0463971
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| Compound Name |
US8791272, 2.21
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3cccc4CCCCc34)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C27H31N3O3/c1-3-24-23(16-26(31)32)25(4-2)30(29-24)17-18-12-14-20(15-13-18)28-27(33)22-11-7-9-19-8-5-6-10-21(19)22/h7,9,11-15H,3-6,8,10,16-17H2,1-2H3,(H,28,33)(H,31,32)
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| InChIKey |
SXJNFSIEUPFSPB-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