General Information of the Compound
| Compound ID |
CP0255335
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| Compound Name |
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C16H25N5O
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| Molecular Weight |
303.41
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| Canonical SMILES |
C(CNCC1CNc2ccccc2O1)CNC1=NCCCN1
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| InChI |
InChI=1S/C16H25N5O/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17,21H,3-4,7-12H2,(H2,18,19,20)
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| InChIKey |
ZGEVFWPCYPHMFQ-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