General Information of the Compound
| Compound ID |
CP0448844
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| Compound Name |
1-[(3,4-dichlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)triazol-4-amine
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| Structure |
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| Formula |
C16H21Cl2N5O
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| Molecular Weight |
370.284
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| Canonical SMILES |
Clc1ccc(Cn2cc(NCCCN3CCOCC3)nn2)cc1Cl
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| InChI |
InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-1-5-22-6-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2
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| InChIKey |
LZSPKWXBKYRXQL-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