General Information of the Compound
| Compound ID |
CP0950344
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| Compound Name |
SID131446920
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| Structure |
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| Formula |
C26H25FN2O2
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| Molecular Weight |
416.496
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| Canonical SMILES |
N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCCC1
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| InChI |
InChI=1S/C26H25FN2O2/c27-22-9-5-4-6-19(22)13-10-18-11-14-20(15-12-18)25-23(16-28)29(24(25)17-30)26(31)21-7-2-1-3-8-21/h4-6,9,11-12,14-15,21,23-25,30H,1-3,7-8,17H2/t23-,24+,25+/m0/s1
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| InChIKey |
KBMWNKSGFSREQB-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