General Information of the Compound
| Compound ID |
CP0414382
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| Compound Name |
(3S)-5-cyclohexyl-3-[[1-cyclohexyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C29H41N3O5
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| Molecular Weight |
511.663
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1
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| InChIKey |
SXWKNJYKTDWHQS-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