General Information of the Compound
| Compound ID |
CP0455438
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| Compound Name |
4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[(2-fluoro-6-methylphenyl)methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
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| Structure |
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| Formula |
C32H33F2N3O5
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| Molecular Weight |
577.628
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(C)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C32H33F2N3O5/c1-20-10-7-14-25(33)24(20)18-36-21(2)29(23-13-8-15-27(42-3)30(23)34)31(40)37(32(36)41)19-26(22-11-5-4-6-12-22)35-17-9-16-28(38)39/h4-8,10-15,26,35H,9,16-19H2,1-3H3,(H,38,39)/t26-/m0/s1
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| InChIKey |
DSULJAVTIQEPAU-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
Protein ID: PT01836, Gonadotropin-releasing hormone receptor
Protein ID: PT02079, Gonadotropin-releasing hormone receptor
Protein ID: PT01997, Gonadotropin-releasing hormone receptor