General Information of the Compound
| Compound ID |
CP0473822
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| Compound Name |
4-[[(1R)-2-[3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxo-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-(3-fluoro-5-methylphenyl)ethyl]amino]butanoic acid
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| Structure |
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| Formula |
C35H37F6N5O5
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| Molecular Weight |
721.699
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| Canonical SMILES |
Cc1cc(F)cc(c1)[C@H](Cn1c(=O)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(C)n(Cc2c(F)cccc2F)c1=O)NCCCC(O)=O
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| InChI |
InChI=1S/C35H37F6N5O5/c1-21-15-23(17-24(36)16-21)29(42-10-4-7-31(47)48)20-46-33(49)32(22(2)45(34(46)50)19-26-27(37)5-3-6-28(26)38)44-13-11-43(12-14-44)18-25-8-9-30(51-25)35(39,40)41/h3,5-6,8-9,15-17,29,42H,4,7,10-14,18-20H2,1-2H3,(H,47,48)/t29-/m0/s1
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| InChIKey |
GZTDNNCBRGJPBF-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