General Information of the Compound
| Compound ID |
CP0544201
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| Compound Name |
cyclobutyl (3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-piperidin-1-ylpentanoate
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| Structure |
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| Formula |
C31H44N4O5
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| Molecular Weight |
552.716
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)OC1CCC1
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| InChI |
InChI=1S/C31H44N4O5/c1-38-27-14-9-15-28(39-2)30(27)26-21-25(33-35(26)23-10-4-5-11-23)31(37)32-22(16-19-34-17-6-3-7-18-34)20-29(36)40-24-12-8-13-24/h9,14-15,21-24H,3-8,10-13,16-20H2,1-2H3,(H,32,37)/t22-/m0/s1
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| InChIKey |
ALYYZVVXNBGYOX-QFIPXVFZSA-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