General Information of the Compound
| Compound ID |
CP0521622
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| Compound Name |
(3S)-3-[[1-[2-(4-tert-butylanilino)-2-oxoacetyl]piperidine-4-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C29H31F4N3O7
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| Molecular Weight |
609.573
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)cc1
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| InChI |
InChI=1S/C29H31F4N3O7/c1-29(2,3)16-4-6-17(7-5-16)34-27(41)28(42)36-10-8-15(9-11-36)26(40)35-20(13-22(38)39)21(37)14-43-25-23(32)18(30)12-19(31)24(25)33/h4-7,12,15,20H,8-11,13-14H2,1-3H3,(H,34,41)(H,35,40)(H,38,39)/t20-/m0/s1
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| InChIKey |
AIYDSGGRIOBAIW-FQEVSTJZSA-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