General Information of the Compound
| Compound ID |
CP0142175
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| Compound Name |
US9163021, 90
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| Structure |
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| Formula |
C24H23FN6O2
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| Molecular Weight |
446.486
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| Canonical SMILES |
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncc(F)c12
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| InChI |
InChI=1S/C24H23FN6O2/c1-14(2)31-12-19(18-10-27-11-20(25)23(18)31)24(33)16-7-17(9-26-8-16)28-22(32)13-30-6-5-21(29-30)15-3-4-15/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,32)
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| InChIKey |
KBBXMARUHDVNOM-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor