General Information of the Compound
| Compound ID |
CP0392685
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-[(R)-2-(2-methoxy-benzylamino)-1-methyl-ethyl]-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H31F2N3O4
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| Molecular Weight |
535.591
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@H](C)CNCc2ccccc2OC)c1=O
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| InChI |
InChI=1S/C30H31F2N3O4/c1-19(16-33-17-22-9-5-6-14-27(22)39-4)35-29(36)28(21-10-7-11-23(15-21)38-3)20(2)34(30(35)37)18-24-25(31)12-8-13-26(24)32/h5-15,19,33H,16-18H2,1-4H3/t19-/m1/s1
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| InChIKey |
QUAHGERGEDVAKS-LJQANCHMSA-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
Protein ID: PT01836, Gonadotropin-releasing hormone receptor
Protein ID: PT01997, Gonadotropin-releasing hormone receptor