General Information of the Compound
| Compound ID |
CP0907183
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| Compound Name |
SID144196939
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCCC4)[C@H]3C#N)cc2)c1
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| InChI |
InChI=1S/C26H26N2O3/c1-31-22-8-4-5-19(15-22)10-9-18-11-13-20(14-12-18)25-23(16-27)28(24(25)17-29)26(30)21-6-2-3-7-21/h4-5,8,11-15,21,23-25,29H,2-3,6-7,17H2,1H3/t23-,24+,25+/m0/s1
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| InChIKey |
NZRLAZMLSBIGNN-ISJGIBHGSA-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