General Information of the Compound
| Compound ID |
CP0922716
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| Compound Name |
(2S,5R)-5-(1-Methyl-cyclopropyl)-piperazine-2-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 |
C38H54F7N5O7
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| Molecular Weight |
825.864
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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]2CN[C@H](C3(C)CC3)CN2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C34H52FN5O3.2C2HF3O2/c1-32(2,3)39-31(43)34(24-8-6-5-7-9-24)16-18-40(19-17-34)30(42)26(20-23-10-12-25(35)13-11-23)38-29(41)27-21-37-28(22-36-27)33(4)14-15-33;2*3-2(4,5)1(6)7/h10-13,24,26-28,36-37H,5-9,14-22H2,1-4H3,(H,38,41)(H,39,43);2*(H,6,7)/t26-,27+,28+;;/m1../s1
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| InChIKey |
KJLXGHFINJQIJV-UZKJHTDFSA-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