General Information of the Compound
| Compound ID |
CP0501824
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| Compound Name |
(S)-2-{3-[2-(4-tert-butyl-phenyl)-5-pyridin-3-yl-2H-pyrazol-3-yl]-propionylamino}-3-(4-hydroxy-phenyl)-propionamide
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| Structure |
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| Formula |
C30H33N5O3
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| Molecular Weight |
511.626
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cccnc1
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| InChI |
InChI=1S/C30H33N5O3/c1-30(2,3)22-8-10-23(11-9-22)35-24(18-26(34-35)21-5-4-16-32-19-21)12-15-28(37)33-27(29(31)38)17-20-6-13-25(36)14-7-20/h4-11,13-14,16,18-19,27,36H,12,15,17H2,1-3H3,(H2,31,38)(H,33,37)/t27-/m0/s1
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| InChIKey |
QFMMOOQLQZAENK-MHZLTWQESA-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