General Information of the Compound
| Compound ID |
CP0489190
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| Compound Name |
4-[(4S)-2-amino-7'-(2-fluoropyridin-3-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-3'-yl]-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C24H19FN4O3
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| Molecular Weight |
430.439
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| Canonical SMILES |
CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
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| InChI |
InChI=1S/C24H19FN4O3/c1-23(2,30)8-7-14-10-18-21(28-12-14)32-19-6-5-15(16-4-3-9-27-20(16)25)11-17(19)24(18)13-31-22(26)29-24/h3-6,9-12,30H,13H2,1-2H3,(H2,26,29)/t24-/m0/s1
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| InChIKey |
KAUGEXWMBITOIF-DEOSSOPVSA-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