General Information of the Compound
| Compound ID |
CP0957800
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| Compound Name |
N-((2H-Tetrazol-5-yl)methyl)-3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzamide hydrochloride
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| Structure |
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| Formula |
C16H15ClF3N7O2
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| Molecular Weight |
429.79
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3nn[nH]n3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C16H14F3N7O2.ClH/c17-16(18,19)12-4-9(7-20)5-14(22-12)28-11-3-1-2-10(6-11)15(27)21-8-13-23-25-26-24-13;/h1-6H,7-8,20H2,(H,21,27)(H,23,24,25,26);1H
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| InChIKey |
ORAIDNSSSDJCMI-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