General Information of the Compound
| Compound ID |
CP0474004
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| Compound Name |
(3S)-N-benzyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C26H31N5O4
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| Molecular Weight |
477.565
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| Canonical SMILES |
COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C26H31N5O4/c1-33-21-14-20(15-22(34-2)24(21)35-3)29-26-27-12-11-23(30-26)31-13-7-10-19(17-31)25(32)28-16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,19H,7,10,13,16-17H2,1-3H3,(H,28,32)(H,27,29,30)/t19-/m0/s1
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| InChIKey |
GZASFQJHPYLYRJ-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