General Information of the Compound
| Compound ID |
CP0378032
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| Compound Name |
(4-{4-[3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-thiazol-2-yl}-phenyl)-carbamic acid ethyl ester
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| Structure |
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| Formula |
C32H29F2N5O4S
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| Molecular Weight |
617.678
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| Canonical SMILES |
CCOC(=O)Nc1ccc(cc1)-c1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C32H29F2N5O4S/c1-3-43-31(41)36-22-14-12-21(13-15-22)29-37-27(18-44-29)28-19(2)38(16-23-24(33)10-7-11-25(23)34)32(42)39(30(28)40)17-26(35)20-8-5-4-6-9-20/h4-15,18,26H,3,16-17,35H2,1-2H3,(H,36,41)/t26-/m0/s1
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| InChIKey |
BWWNTFMNRAJKPR-SANMLTNESA-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