General Information of the Compound
| Compound ID |
CP0526437
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| Compound Name |
(3S)-3-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C24H21ClF4N2O6
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| Molecular Weight |
544.885
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C24H21ClF4N2O6/c25-14-3-1-13(2-4-14)24(36)31-7-5-12(6-8-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-4,9,12,17H,5-8,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1
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| InChIKey |
SPYJASIVXZJYAM-KRWDZBQOSA-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