General Information of the Compound
| Compound ID |
CP0366766
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| Compound Name |
N-[(6-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C18H28N4O2
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| Molecular Weight |
332.448
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| Canonical SMILES |
COc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1
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| InChI |
InChI=1S/C18H28N4O2/c1-23-15-6-7-17-14(12-15)4-5-16(24-17)13-19-8-2-9-20-18-21-10-3-11-22-18/h6-7,12,16,19H,2-5,8-11,13H2,1H3,(H2,20,21,22)
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| InChIKey |
BSFGRDSSZQRZRQ-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