General Information of the Compound
| Compound ID |
CP0504221
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| Compound Name |
(3S)-1-(2-anilinopyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C24H27N5O/c1-18-9-11-19(12-10-18)16-26-23(30)20-6-5-15-29(17-20)22-13-14-25-24(28-22)27-21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-17H2,1H3,(H,26,30)(H,25,27,28)/t20-/m0/s1
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| InChIKey |
CMLFUZWZYHQJSJ-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