General Information of the Compound
| Compound ID |
CP0449672
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| Compound Name |
1-[4-[4-[4-methyl-5-[[(2R)-3-methylbutan-2-yl]oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
CC(C)[C@@H](C)OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
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| InChI |
InChI=1S/C25H28N4O4/c1-15(2)17(4)33-24(32)26-22-16(3)27-28-29(22)21-11-7-19(8-12-21)18-5-9-20(10-6-18)25(13-14-25)23(30)31/h5-12,15,17H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t17-/m1/s1
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| InChIKey |
KXBWERIALIAZGM-QGZVFWFLSA-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