General Information of the Compound
| Compound ID |
CP0429420
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| Compound Name |
N-[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C24H29FN4
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| Molecular Weight |
392.522
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| Canonical SMILES |
CN(C)CCNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C24H29FN4/c1-17-6-9-22-21(13-17)23(26-10-12-28(2)3)15-24(27-22)29-11-4-5-18-7-8-20(25)14-19(18)16-29/h6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,26,27)
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| InChIKey |
LVWOSDNXAXUSNF-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