General Information of the Compound
| Compound ID |
CP0538573
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| Compound Name |
(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-(diethylamino)pentanoic acid;hydrochloride
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| Formula |
C26H39ClN4O5
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| Molecular Weight |
523.074
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| Canonical SMILES |
Cl.CCN(CC)CC[C@@H](CC(O)=O)NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)C1CCCC1
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| InChI |
InChI=1S/C26H38N4O5.ClH/c1-5-29(6-2)15-14-18(16-24(31)32)27-26(33)20-17-21(30(28-20)19-10-7-8-11-19)25-22(34-3)12-9-13-23(25)35-4;/h9,12-13,17-19H,5-8,10-11,14-16H2,1-4H3,(H,27,33)(H,31,32);1H/t18-;/m0./s1
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| InChIKey |
MUIPFLOGBGSHGL-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