General Information of the Compound
| Compound ID |
CP0579888
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| Compound Name |
5-[2,6-bis(2,2,2-trifluoroethoxy)phenyl]-N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C33H43F6N5O4
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| Molecular Weight |
687.726
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| Canonical SMILES |
FC(F)(F)COc1cccc(OCC(F)(F)F)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C33H43F6N5O4/c34-32(35,36)20-47-27-12-7-13-28(48-21-33(37,38)39)30(27)26-19-25(42-44(26)24-10-2-3-11-24)31(46)41-23(14-17-43-15-4-1-5-16-43)18-29(45)40-22-8-6-9-22/h7,12-13,19,22-24H,1-6,8-11,14-18,20-21H2,(H,40,45)(H,41,46)/t23-/m0/s1
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| InChIKey |
DXAIJXLYNQHXKP-QHCPKHFHSA-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