General Information of the Compound
| Compound ID |
CP0543284
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(4-ethoxy-2,6-difluorophenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H43F2N5O3
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| Molecular Weight |
571.713
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| Canonical SMILES |
CCOc1cc(F)c(-c2cc(nn2C2CCCC2)C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)c(F)c1
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| InChI |
InChI=1S/C31H43F2N5O3/c1-2-41-24-18-25(32)30(26(33)19-24)28-20-27(36-38(28)23-11-4-5-12-23)31(40)35-22(13-16-37-14-6-3-7-15-37)17-29(39)34-21-9-8-10-21/h18-23H,2-17H2,1H3,(H,34,39)(H,35,40)/t22-/m0/s1
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| InChIKey |
HDTYLIABVYBAMP-QFIPXVFZSA-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