General Information of the Compound
| Compound ID |
CP0134016
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| Compound Name |
(1R)-1-[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
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| Structure |
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| Formula |
C21H25F4N7O2
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| Molecular Weight |
483.47
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| Canonical SMILES |
CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n([C@H](C)C(F)(F)F)c(nc3cn2)[C@@H](C)O)n1
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| InChI |
InChI=1S/C21H25F4N7O2/c1-11(33)19-28-14-9-27-18(8-15(14)32(19)12(2)21(23,24)25)29-17-4-6-26-20(30-17)31-7-5-16(34-3)13(22)10-31/h4,6,8-9,11-13,16,33H,5,7,10H2,1-3H3,(H,26,27,29,30)/t11-,12-,13-,16+/m1/s1
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| InChIKey |
BOPSHQJEVUOWPS-JXFSHQFZSA-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: PT00922, Epidermal growth factor receptor