General Information of the Compound
| Compound ID |
CP0040458
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| Compound Name |
tert-butyl 4-[6-[4-(2-fluoroethylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C28H37FN8O4
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| Molecular Weight |
568.654
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
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| InChI |
InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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| InChIKey |
SIZCWNYHKIDIFT-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