General Information of the Compound
| Compound ID |
CP0516492
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| Compound Name |
(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-4-phenylbutanoic acid
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| Structure |
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| Formula |
C26H31N3O5
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| Molecular Weight |
465.55
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C26H31N3O5/c1-17(2)16-29-21(24-22(33-3)11-8-12-23(24)34-4)15-20(28-29)25(30)27-19(26(31)32)14-13-18-9-6-5-7-10-18/h5-12,15,17,19H,13-14,16H2,1-4H3,(H,27,30)(H,31,32)/t19-/m0/s1
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| InChIKey |
NVRLLJYQEJFAMG-IBGZPJMESA-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