General Information of the Compound
| Compound ID |
CP0879867
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| Compound Name |
SID131464910
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| Structure |
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| Formula |
C31H33N3O3
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| Molecular Weight |
495.623
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| Canonical SMILES |
COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#Cc4ccccc4)cc2)[C@@H]3CO)cc1
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| InChI |
InChI=1S/C31H33N3O3/c1-37-27-17-15-26(16-18-27)32-31(36)33-19-5-6-20-34-28(21-33)30(29(34)22-35)25-13-11-24(12-14-25)10-9-23-7-3-2-4-8-23/h2-4,7-8,11-18,28-30,35H,5-6,19-22H2,1H3,(H,32,36)/t28-,29+,30-/m1/s1
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| InChIKey |
OJOYTIQMDFICSJ-DYIKCSJPSA-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