General Information of the Compound
| Compound ID |
CP0444301
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| Compound Name |
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C27H30F3N5O5
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| Molecular Weight |
561.561
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| Canonical SMILES |
COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-11-10-23(34-26)35-12-4-5-18(16-35)25(36)32-15-17-6-8-20(9-7-17)40-27(28,29)30/h6-11,13-14,18H,4-5,12,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
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| InChIKey |
GBYYHFNOPGCXMC-SFHVURJKSA-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