General Information of the Compound
| Compound ID |
CP0864730
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| Compound Name |
SID144194942
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| Structure |
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| Formula |
C26H26FN3O2
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| Molecular Weight |
431.511
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| Canonical SMILES |
N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C26H26FN3O2/c27-21-12-14-22(15-13-21)29-26(32)30-23(16-28)25(24(30)17-31)20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h8-15,18,23-25,31H,1-5,17H2,(H,29,32)/t23-,24-,25-/m0/s1
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| InChIKey |
YCVPOIPDKZIJEU-SDHOMARFSA-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