General Information of the Compound
| Compound ID |
CP0393310
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| Compound Name |
1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol
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| Structure |
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| Formula |
C22H26N4O
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| Molecular Weight |
362.477
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| Canonical SMILES |
NCC(O)CNc1cc(nc2ccccc12)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C22H26N4O/c23-13-18(27)14-24-21-12-22(25-20-10-4-3-9-19(20)21)26-11-5-8-16-6-1-2-7-17(16)15-26/h1-4,6-7,9-10,12,18,27H,5,8,11,13-15,23H2,(H,24,25)
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| InChIKey |
DGQZVYKDPGIRQY-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