General Information of the Compound
| Compound ID |
CP0429534
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| Compound Name |
N-(3-aminopropyl)-5-[3-(2H-tetrazol-5-yl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H20F3N9OS
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| Molecular Weight |
539.547
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| Canonical SMILES |
NCCCNC(=O)c1ccc(s1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1nnn[nH]1
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| InChI |
InChI=1S/C24H20F3N9OS/c25-24(26,27)17-4-2-14(3-5-17)19-13-36(35-30-19)18-11-15(10-16(12-18)22-31-33-34-32-22)20-6-7-21(38-20)23(37)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,37)(H,31,32,33,34)
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| InChIKey |
UIVYMFMWPWBZCO-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