General Information of the Compound
| Compound ID |
CP0390396
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| Compound Name |
US8853203, 99h
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| Structure |
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| Formula |
C24H21FN6O
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| Molecular Weight |
428.471
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| Canonical SMILES |
Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1
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| InChI |
InChI=1S/C24H21FN6O/c25-21-8-7-16(12-26-21)17-5-2-6-19-18(17)9-10-30-20(19)11-22(27-13-23(30)32)31-14-28-24(29-31)15-3-1-4-15/h2,5-8,11-12,14-15H,1,3-4,9-10,13H2
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| InChIKey |
RTJVSODYBWREQD-UHFFFAOYSA-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