General Information of the Compound
| Compound ID |
CP0169577
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| Compound Name |
1-[4-[4-[5-(1-cyclobutylethoxycarbonylamino)-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
CC(OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)C1CCC1
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| InChI |
InChI=1S/C26H28N4O4/c1-16-23(27-25(33)34-17(2)18-4-3-5-18)30(29-28-16)22-12-8-20(9-13-22)19-6-10-21(11-7-19)26(14-15-26)24(31)32/h6-13,17-18H,3-5,14-15H2,1-2H3,(H,27,33)(H,31,32)
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| InChIKey |
SBJZFGASZPMUOO-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