General Information of the Compound
| Compound ID |
CP0872443
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| Compound Name |
SID131447174
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)Cc4ccccc4)[C@H]3C#N)cc2)c1
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| InChI |
InChI=1S/C26H24N2O3/c1-31-22-9-5-8-21(15-22)19-10-12-20(13-11-19)26-23(16-27)28(24(26)17-29)25(30)14-18-6-3-2-4-7-18/h2-13,15,23-24,26,29H,14,17H2,1H3/t23-,24+,26+/m0/s1
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| InChIKey |
DMVFOJPWTDQZAN-BFLUCZKCSA-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