General Information of the Compound
| Compound ID |
CP0494527
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[3-(2-hydroxyethyl)piperazin-1-yl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H31F2N5O3
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| Molecular Weight |
499.562
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| Canonical SMILES |
Cc1c(N2CCNC(CCO)C2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C26H31F2N5O3/c1-17-24(31-12-11-30-19(14-31)10-13-34)25(35)33(16-23(29)18-6-3-2-4-7-18)26(36)32(17)15-20-21(27)8-5-9-22(20)28/h2-9,19,23,30,34H,10-16,29H2,1H3/t19?,23-/m0/s1
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| InChIKey |
DJHXYWBOBIYVJD-BVHINDKJSA-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