General Information of the Compound
| Compound ID |
CP0864580
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| Compound Name |
SID131446805
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCCC4)[C@H]3CO)cc2)c1
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| InChI |
InChI=1S/C27H28N2O3/c1-32-23-9-5-6-20(16-23)11-10-19-12-14-21(15-13-19)26-24(17-28)29(25(26)18-30)27(31)22-7-3-2-4-8-22/h5-6,9,12-16,22,24-26,30H,2-4,7-8,18H2,1H3/t24-,25+,26-/m1/s1
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| InChIKey |
JGNYIVKPSOBVHK-UODIDJSMSA-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