General Information of the Compound
| Compound ID |
CP0521621
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| Compound Name |
(3S)-3-[[1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C24H26F6N2O6
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| Molecular Weight |
552.468
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC(F)(F)CC1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C24H26F6N2O6/c25-14-9-15(26)20(28)21(19(14)27)38-11-17(33)16(10-18(34)35)31-22(36)12-3-7-32(8-4-12)23(37)13-1-5-24(29,30)6-2-13/h9,12-13,16H,1-8,10-11H2,(H,31,36)(H,34,35)/t16-/m0/s1
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| InChIKey |
LXFCJFQAZSYUEW-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