General Information of the Compound
| Compound ID |
CP0516942
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| Compound Name |
US8629158, 9
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| Structure |
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| Formula |
C24H21FN4O2
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| Molecular Weight |
416.456
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| Canonical SMILES |
Fc1ccc(COc2ccn(-c3ccc4c5C6CCC(Cc5[nH]c4c3)N6)c(=O)c2)nc1
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| InChI |
InChI=1S/C24H21FN4O2/c25-14-1-2-16(26-12-14)13-31-18-7-8-29(23(30)11-18)17-4-5-19-21(10-17)28-22-9-15-3-6-20(27-15)24(19)22/h1-2,4-5,7-8,10-12,15,20,27-28H,3,6,9,13H2
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| InChIKey |
QBZDRCQBGMITBW-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