General Information of the Compound
| Compound ID |
CP0444306
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| Compound Name |
(3S)-1-[2-(3-chloroanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C24H26ClN5O
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| Molecular Weight |
435.959
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| Canonical SMILES |
Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cccc(Cl)c3)n2)cc1
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| InChI |
InChI=1S/C24H26ClN5O/c1-17-7-9-18(10-8-17)15-27-23(31)19-4-3-13-30(16-19)22-11-12-26-24(29-22)28-21-6-2-5-20(25)14-21/h2,5-12,14,19H,3-4,13,15-16H2,1H3,(H,27,31)(H,26,28,29)/t19-/m0/s1
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| InChIKey |
LOOMUSJBEDLQTQ-IBGZPJMESA-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