General Information of the Compound
| Compound ID |
CP0449761
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| Compound Name |
5-[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]pentanamide
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| Structure |
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| Formula |
C31H36N4O2
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| Molecular Weight |
496.655
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)NCCc1ccc(O)cc1)-c1cccnc1
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| InChI |
InChI=1S/C31H36N4O2/c1-31(2,3)25-12-14-26(15-13-25)35-27(21-29(34-35)24-7-6-19-32-22-24)8-4-5-9-30(37)33-20-18-23-10-16-28(36)17-11-23/h6-7,10-17,19,21-22,36H,4-5,8-9,18,20H2,1-3H3,(H,33,37)
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| InChIKey |
FBHMIJXMQILCLS-UHFFFAOYSA-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