General Information of the Compound
| Compound ID |
CP0908124
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| Compound Name |
SID144194869
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| Structure |
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| Formula |
C26H25FN2O3
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| Molecular Weight |
432.495
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| Canonical SMILES |
O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO
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| InChI |
InChI=1S/C26H25FN2O3/c27-21-6-1-3-18(13-21)8-7-17-9-11-19(12-10-17)25-22-14-28(26(32)20-4-2-5-20)15-24(31)29(22)23(25)16-30/h1,3,6,9-13,20,22-23,25,30H,2,4-5,14-16H2/t22-,23+,25+/m1/s1
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| InChIKey |
PNTOBEGYTHNSOZ-CUYJMHBOSA-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