General Information of the Compound
| Compound ID |
CP0412398
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| Compound Name |
(3S)-3-[[1-(5-chlorothiophene-2-carbonyl)piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C22H19ClF4N2O6S
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| Molecular Weight |
550.914
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)s1)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C22H19ClF4N2O6S/c23-16-2-1-15(36-16)22(34)29-5-3-10(4-6-29)21(33)28-13(8-17(31)32)14(30)9-35-20-18(26)11(24)7-12(25)19(20)27/h1-2,7,10,13H,3-6,8-9H2,(H,28,33)(H,31,32)/t13-/m0/s1
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| InChIKey |
PJKBOZXYEDFYLA-ZDUSSCGKSA-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