General Information of the Compound
| Compound ID |
CP0536427
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| Compound Name |
(3S)-3-[(1-cyclopentyloxycarbonylpiperidine-4-carbonyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C23H26F4N2O7
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| Molecular Weight |
518.46
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)OC1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C23H26F4N2O7/c24-14-9-15(25)20(27)21(19(14)26)35-11-17(30)16(10-18(31)32)28-22(33)12-5-7-29(8-6-12)23(34)36-13-3-1-2-4-13/h9,12-13,16H,1-8,10-11H2,(H,28,33)(H,31,32)/t16-/m0/s1
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| InChIKey |
KCANTMNBUCMBQM-INIZCTEOSA-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