General Information of the Compound
| Compound ID |
CP0477670
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| Compound Name |
(4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(2,2,2-trifluoroethoxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C24H25F3N4O6
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| Molecular Weight |
522.48
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC(F)(F)F
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| InChI |
InChI=1S/C24H25F3N4O6/c25-24(26,27)15-37-23(36)31-13-11-30(12-14-31)22(35)19(9-10-20(32)33)29-21(34)18-8-4-7-17(28-18)16-5-2-1-3-6-16/h1-8,19H,9-15H2,(H,29,34)(H,32,33)/t19-/m0/s1
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| InChIKey |
PMHTVAJQFYOXGH-IBGZPJMESA-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