General Information of the Compound
| Compound ID |
CP0145247
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| Compound Name |
tert-butyl 4-[5-[(3,5-difluoropyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H23F2N5O3
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| Molecular Weight |
407.421
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2c(F)cncc2F)cn1
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| InChI |
InChI=1S/C19H23F2N5O3/c1-19(2,3)29-18(27)26-6-4-25(5-7-26)17-23-8-13(9-24-17)28-12-14-15(20)10-22-11-16(14)21/h8-11H,4-7,12H2,1-3H3
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| InChIKey |
XFCMGUVSVUPJEW-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