General Information of the Compound
| Compound ID |
CP0414378
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| Compound Name |
(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C24H33N3O5
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| Molecular Weight |
443.544
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C24H33N3O5/c1-27-19(23-20(31-2)10-7-11-21(23)32-3)15-18(26-27)24(30)25-17(14-22(28)29)13-12-16-8-5-4-6-9-16/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/t17-/m0/s1
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| InChIKey |
MYOOMAXXNQZCOH-KRWDZBQOSA-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