General Information of the Compound
| Compound ID |
CP0845562
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| Compound Name |
(2S,5S)-5-Isopropyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide dihydrochloride
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| Structure |
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| Formula |
C33H54Cl2FN5O3
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| Molecular Weight |
658.731
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| Canonical SMILES |
CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1.Cl.Cl
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| InChI |
InChI=1S/C33H52FN5O3.2ClH/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5;;/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42);2*1H/t26-,27-,28+;;/m1../s1
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| InChIKey |
OPCVENRLNSEHOK-PWSSFSMVSA-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