General Information of the Compound
| Compound ID |
CP0463546
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| Compound Name |
4-[[(1R)-2-[5-[4-(2-fluoro-3-methoxyphenyl)piperazin-1-yl]-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
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| Structure |
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| Formula |
C36H38F5N5O5
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| Molecular Weight |
715.72
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| Canonical SMILES |
COc1cccc(N2CCN(CC2)c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c3ccccc3)c2=O)c1F
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| InChI |
InChI=1S/C36H38F5N5O5/c1-23-33(44-19-17-43(18-20-44)29-13-7-14-30(51-2)32(29)38)34(49)46(22-28(24-9-4-3-5-10-24)42-16-8-15-31(47)48)35(50)45(23)21-25-26(36(39,40)41)11-6-12-27(25)37/h3-7,9-14,28,42H,8,15-22H2,1-2H3,(H,47,48)/t28-/m0/s1
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| InChIKey |
VUOPVHLJDJPKLD-NDEPHWFRSA-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