General Information of the Compound
| Compound ID |
CP0565300
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| Compound Name |
(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-piperidin-1-ylpentanoic acid;hydrochloride
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| Formula |
C27H39ClN4O5
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| Molecular Weight |
535.085
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C27H38N4O5.ClH/c1-35-23-11-8-12-24(36-2)26(23)22-18-21(29-31(22)20-9-4-5-10-20)27(34)28-19(17-25(32)33)13-16-30-14-6-3-7-15-30;/h8,11-12,18-20H,3-7,9-10,13-17H2,1-2H3,(H,28,34)(H,32,33);1H/t19-;/m0./s1
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| InChIKey |
JHDIYUADKHLSCP-FYZYNONXSA-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