General Information of the Compound
| Compound ID |
CP0514698
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| Compound Name |
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl]-2-(4-chlorophenyl)acetamide
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| Structure |
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| Formula |
C24H23ClN6O3
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| Molecular Weight |
478.94
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| Canonical SMILES |
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C24H23ClN6O3/c1-24(2,13-32)31-12-19(18-11-28-23(26)30-22(18)31)21(34)15-8-17(10-27-9-15)29-20(33)7-14-3-5-16(25)6-4-14/h3-6,8-12,32H,7,13H2,1-2H3,(H,29,33)(H2,26,28,30)
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| InChIKey |
OQULCJFCULISIS-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
Protein ID: PT00936, NT-3 growth factor receptor