General Information of the Compound
| Compound ID |
CP0150505
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| Compound Name |
N'-(6-chloropyridazin-3-yl)-N-(3,4-dihydro-2H-chromen-2-ylmethyl)propane-1,3-diamine
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| Structure |
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| Formula |
C17H21ClN4O
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| Molecular Weight |
332.835
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| Canonical SMILES |
Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
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| InChI |
InChI=1S/C17H21ClN4O/c18-16-8-9-17(22-21-16)20-11-3-10-19-12-14-7-6-13-4-1-2-5-15(13)23-14/h1-2,4-5,8-9,14,19H,3,6-7,10-12H2,(H,20,22)
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| InChIKey |
UOBLDBABGSURQG-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