General Information of the Compound
| Compound ID |
CP0417938
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| Compound Name |
3-[[5-chloro-2-(2H-triazol-4-ylamino)phenyl]methyl]cyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C14H15ClN4O2
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| Molecular Weight |
306.753
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| Canonical SMILES |
OC(=O)C1CC(Cc2cc(Cl)ccc2Nc2cn[nH]n2)C1
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| InChI |
InChI=1S/C14H15ClN4O2/c15-11-1-2-12(17-13-7-16-19-18-13)9(6-11)3-8-4-10(5-8)14(20)21/h1-2,6-8,10H,3-5H2,(H,20,21)(H2,16,17,18,19)
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| InChIKey |
ADVNULWJCNFIRD-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