General Information of the Compound
| Compound ID |
CP0492011
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| Compound Name |
3-[4-(3-aminopropylcarbamoyl)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
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| Formula |
C26H22F3N5O3
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| Molecular Weight |
509.488
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| Canonical SMILES |
NCCCNC(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C26H22F3N5O3/c27-26(28,29)21-8-6-17(7-9-21)23-15-34(33-32-23)22-13-19(12-20(14-22)25(36)37)16-2-4-18(5-3-16)24(35)31-11-1-10-30/h2-9,12-15H,1,10-11,30H2,(H,31,35)(H,36,37)
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| InChIKey |
HMIUXJGHPCQJBZ-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