General Information of the Compound
| Compound ID |
CP0476950
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| Compound Name |
4-[[(1R)-2-[3-[(2-fluoro-6-methylphenyl)methyl]-4-methyl-2,6-dioxo-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
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| Structure |
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| Formula |
C35H39F4N5O5
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| Molecular Weight |
685.719
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| Canonical SMILES |
Cc1cccc(F)c1Cn1c(C)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C35H39F4N5O5/c1-23-8-6-11-28(36)27(23)21-43-24(2)32(42-18-16-41(17-19-42)20-26-13-14-30(49-26)35(37,38)39)33(47)44(34(43)48)22-29(25-9-4-3-5-10-25)40-15-7-12-31(45)46/h3-6,8-11,13-14,29,40H,7,12,15-22H2,1-2H3,(H,45,46)/t29-/m0/s1
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| InChIKey |
GWEXYVCUTKXHLP-LJAQVGFWSA-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