General Information of the Compound
| Compound ID |
CP0051314
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| Compound Name |
CHEMBL393314
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCOCC2)C1
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| InChI |
InChI=1S/C28H31N5O2/c29-27-26-25(22-7-4-8-24(17-22)35-19-20-5-2-1-3-6-20)31-28(33(26)10-9-30-27)23-15-21(16-23)18-32-11-13-34-14-12-32/h1-10,17,21,23H,11-16,18-19H2,(H2,29,30)/t21-,23+
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| InChIKey |
WQHCMGAEWPSKCB-DKXQDJALSA-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