General Information of the Compound
| Compound ID |
CP0414377
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| Compound Name |
(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-propylpyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C26H37N3O5
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| Molecular Weight |
471.598
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| Canonical SMILES |
CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C26H37N3O5/c1-4-15-29-21(25-22(33-2)11-8-12-23(25)34-3)17-20(28-29)26(32)27-19(16-24(30)31)14-13-18-9-6-5-7-10-18/h8,11-12,17-19H,4-7,9-10,13-16H2,1-3H3,(H,27,32)(H,30,31)/t19-/m0/s1
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| InChIKey |
SRBJMCFCCIYEJA-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