General Information of the Compound
| Compound ID |
CP0440336
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-(3-benzylpiperidin-1-yl)-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H34F2N4O2
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| Molecular Weight |
544.646
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| Canonical SMILES |
Cc1c(N2CCCC(Cc3ccccc3)C2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C32H34F2N4O2/c1-22-30(36-17-9-12-24(19-36)18-23-10-4-2-5-11-23)31(39)38(21-29(35)25-13-6-3-7-14-25)32(40)37(22)20-26-27(33)15-8-16-28(26)34/h2-8,10-11,13-16,24,29H,9,12,17-21,35H2,1H3/t24?,29-/m0/s1
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| InChIKey |
FIBIKHJPJWCLRM-PEFOLFAWSA-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