General Information of the Compound
| Compound ID |
CP0444302
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| Compound Name |
(3S)-1-[2-(methylamino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C19H25N5O
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| Molecular Weight |
339.443
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| Canonical SMILES |
CNc1nccc(n1)N1CCC[C@@H](C1)C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C19H25N5O/c1-14-5-7-15(8-6-14)12-22-18(25)16-4-3-11-24(13-16)17-9-10-21-19(20-2)23-17/h5-10,16H,3-4,11-13H2,1-2H3,(H,22,25)(H,20,21,23)/t16-/m0/s1
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| InChIKey |
MNLMJJREZZQISR-INIZCTEOSA-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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor