General Information of the Compound
| Compound ID |
CP0427432
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| Compound Name |
3-[(2R)-2-amino-2-(2-hydroxyphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H30F5N5O4
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| Molecular Weight |
619.591
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| Canonical SMILES |
Cc1c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C30H30F5N5O4/c1-18-27(38-13-11-37(12-14-38)15-19-9-10-26(44-19)30(33,34)35)28(42)40(17-24(36)20-5-2-3-8-25(20)41)29(43)39(18)16-21-22(31)6-4-7-23(21)32/h2-10,24,41H,11-17,36H2,1H3/t24-/m0/s1
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| InChIKey |
BMEQCDDEUXUOFQ-DEOSSOPVSA-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