General Information of the Compound
| Compound ID |
CP0416120
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| Compound Name |
(3S)-1-[2-(3-methoxyanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C25H29N5O2
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| Molecular Weight |
431.54
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| Canonical SMILES |
COc1cccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C25H29N5O2/c1-18-8-10-19(11-9-18)16-27-24(31)20-5-4-14-30(17-20)23-12-13-26-25(29-23)28-21-6-3-7-22(15-21)32-2/h3,6-13,15,20H,4-5,14,16-17H2,1-2H3,(H,27,31)(H,26,28,29)/t20-/m0/s1
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| InChIKey |
MUGOITOAQXBNHB-FQEVSTJZSA-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