General Information of the Compound
| Compound ID |
CP0473006
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| Compound Name |
(3S)-5-cyclohexyl-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C28H39N3O5
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| Molecular Weight |
497.636
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/t20-/m0/s1
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| InChIKey |
XYGKCMALHVTDPX-FQEVSTJZSA-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