General Information of the Compound
| Compound ID |
CP0926623
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| Compound Name |
SID131446622
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| Structure |
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| Formula |
C25H21FN2O2
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| Molecular Weight |
400.453
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| Canonical SMILES |
N#C[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C25H21FN2O2/c26-21-9-5-4-8-20(21)18-10-12-19(13-11-18)25-22(15-27)28(23(25)16-29)24(30)14-17-6-2-1-3-7-17/h1-13,22-23,25,29H,14,16H2/t22-,23-,25+/m1/s1
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| InChIKey |
HMXVJCCZZGCYFV-OYRHQHFDSA-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