General Information of the Compound
| Compound ID |
CP0526441
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| Compound Name |
(3S)-3-[[1-(adamantane-1-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 |
C28H32F4N2O6
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| Molecular Weight |
568.564
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C28H32F4N2O6/c29-18-8-19(30)24(32)25(23(18)31)40-13-21(35)20(9-22(36)37)33-26(38)17-1-3-34(4-2-17)27(39)28-10-14-5-15(11-28)7-16(6-14)12-28/h8,14-17,20H,1-7,9-13H2,(H,33,38)(H,36,37)/t14?,15?,16?,20-,28?/m0/s1
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| InChIKey |
ZAKZNGHTCDPMKI-XVWUWYCTSA-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