General Information of the Compound
| Compound ID |
CP0532228
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| Compound Name |
methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-4-phenylbutanoyl]amino]acetate
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| Structure |
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| Formula |
C29H36N4O6
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| Molecular Weight |
536.629
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| Canonical SMILES |
COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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| InChI |
InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1
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| InChIKey |
UFYKBWPLFPOPMA-NRFANRHFSA-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: PT05078, Apelin receptor