General Information of the Compound
| Compound ID |
CP0389509
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| Compound Name |
propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H26FN5O3S
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| Molecular Weight |
483.569
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)-c1nccs1
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| InChI |
InChI=1S/C24H26FN5O3S/c1-15(2)32-24(31)29-9-5-17(6-10-29)33-22-18-7-11-30(21(18)27-14-28-22)20-4-3-16(13-19(20)25)23-26-8-12-34-23/h3-4,8,12-15,17H,5-7,9-11H2,1-2H3
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| InChIKey |
NWTGCVSFINLOGB-UHFFFAOYSA-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