General Information of the Compound
| Compound ID |
CP0487509
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| Compound Name |
2-[[(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoyl]amino]acetic acid
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| Structure |
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| Formula |
C29H42N4O6
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| Molecular Weight |
542.677
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O
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| InChI |
InChI=1S/C29H42N4O6/c1-19(2)18-33-23(28-24(38-3)11-8-12-25(28)39-4)16-22(32-33)29(37)31-21(15-26(34)30-17-27(35)36)14-13-20-9-6-5-7-10-20/h8,11-12,16,19-21H,5-7,9-10,13-15,17-18H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t21-/m0/s1
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| InChIKey |
CGMHWFIVPCMBJJ-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