General Information of the Compound
| Compound ID |
CP0396334
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| Compound Name |
N-[(3-aminooxetan-3-yl)methyl]-2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-amine
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| Structure |
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| Formula |
C24H27FN4O
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| Molecular Weight |
406.505
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| Canonical SMILES |
Cc1ccc2nc(cc(NCC3(N)COC3)c2c1)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C24H27FN4O/c1-16-4-7-21-20(9-16)22(27-13-24(26)14-30-15-24)11-23(28-21)29-8-2-3-17-5-6-19(25)10-18(17)12-29/h4-7,9-11H,2-3,8,12-15,26H2,1H3,(H,27,28)
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| InChIKey |
BNHKKAWGNKMZHC-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