General Information of the Compound
| Compound ID |
CP0551277
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| Compound Name |
(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-piperazin-1-ylpentanoic acid;hydrochloride
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| Formula |
C26H38ClN5O5
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| Molecular Weight |
536.073
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCNCC1)CC(O)=O
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| InChI |
InChI=1S/C26H37N5O5.ClH/c1-35-22-8-5-9-23(36-2)25(22)21-17-20(29-31(21)19-6-3-4-7-19)26(34)28-18(16-24(32)33)10-13-30-14-11-27-12-15-30;/h5,8-9,17-19,27H,3-4,6-7,10-16H2,1-2H3,(H,28,34)(H,32,33);1H/t18-;/m0./s1
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| InChIKey |
ACDCJJKAJYKPFK-FERBBOLQSA-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