General Information of the Compound
| Compound ID |
CP0847598
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| Compound Name |
(S)-4,7-Diaza-spiro[2.5]octane-6-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; compound with ditrifluoroacetic acid
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| Structure |
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| Formula |
C36H50F7N5O7
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| Molecular Weight |
797.81
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| Canonical SMILES |
CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNC3(CC3)CN2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C32H48FN5O3.2C2HF3O2/c1-30(2,3)37-29(41)32(23-7-5-4-6-8-23)15-17-38(18-16-32)28(40)25(19-22-9-11-24(33)12-10-22)36-27(39)26-20-35-31(13-14-31)21-34-26;2*3-2(4,5)1(6)7/h9-12,23,25-26,34-35H,4-8,13-21H2,1-3H3,(H,36,39)(H,37,41);2*(H,6,7)/t25-,26+;;/m1../s1
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| InChIKey |
LZUZAGMNDDTRPD-JQJBDSOESA-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