General Information of the Compound
| Compound ID |
CP0486179
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| Compound Name |
N'-[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]-N-(oxetan-3-yl)ethane-1,2-diamine
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| Structure |
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| Formula |
C25H29FN4O
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| Molecular Weight |
420.532
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCNC3COC3)c2c1)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C25H29FN4O/c1-17-4-7-23-22(11-17)24(28-9-8-27-21-15-31-16-21)13-25(29-23)30-10-2-3-18-5-6-20(26)12-19(18)14-30/h4-7,11-13,21,27H,2-3,8-10,14-16H2,1H3,(H,28,29)
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| InChIKey |
NTYDUHXYEYQERG-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