General Information of the Compound
| Compound ID |
CP0482882
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-(4-benzoylpiperazin-1-yl)-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H31F2N5O3
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| Molecular Weight |
559.617
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| Canonical SMILES |
Cc1c(N2CCN(CC2)C(=O)c2ccccc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C31H31F2N5O3/c1-21-28(35-15-17-36(18-16-35)29(39)23-11-6-3-7-12-23)30(40)38(20-27(34)22-9-4-2-5-10-22)31(41)37(21)19-24-25(32)13-8-14-26(24)33/h2-14,27H,15-20,34H2,1H3/t27-/m0/s1
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| InChIKey |
IQVVMKZLUJZTKP-MHZLTWQESA-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