General Information of the Compound
| Compound ID |
CP0344352
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| Compound Name |
(3S,4S)-methyl 4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3-(3-(5-acetyl-4-methylthiazol-2-yl)ureido)piperidine-1-carboxylate
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| Structure |
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| Formula |
C27H36FN5O4S
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| Molecular Weight |
545.681
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| Canonical SMILES |
COC(=O)N1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
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| InChI |
InChI=1S/C27H36FN5O4S/c1-17-24(18(2)34)38-26(29-17)31-25(35)30-23-16-33(27(36)37-3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(28)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,29,30,31,35)/t20-,21-,23+/m0/s1
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| InChIKey |
LZPOCRZQAOZURJ-QNWVGRARSA-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