General Information of the Compound
| Compound ID |
CP0520521
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| Compound Name |
(4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(4,4,4-trifluorobutoxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C26H29F3N4O6
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| Molecular Weight |
550.534
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCCCC(F)(F)F
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| InChI |
InChI=1S/C26H29F3N4O6/c27-26(28,29)12-5-17-39-25(38)33-15-13-32(14-16-33)24(37)21(10-11-22(34)35)31-23(36)20-9-4-8-19(30-20)18-6-2-1-3-7-18/h1-4,6-9,21H,5,10-17H2,(H,31,36)(H,34,35)/t21-/m0/s1
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| InChIKey |
OBULHRRJFXTYED-NRFANRHFSA-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