General Information of the Compound
| Compound ID |
CP0950762
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| Compound Name |
SID131446655
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| Structure |
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| Formula |
C25H24FN3O2
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| Molecular Weight |
417.484
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| Canonical SMILES |
N#C[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C25H24FN3O2/c26-20-11-13-21(14-12-20)28-25(31)29-22(15-27)24(23(29)16-30)19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h7-14,17,22-24,30H,1-4,16H2,(H,28,31)/t22-,23+,24+/m1/s1
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| InChIKey |
DWFLGULYSFVFLO-SGNDLWITSA-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