General Information of the Compound
| Compound ID |
CP0940057
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| Compound Name |
N-(1-ethylcyclopentyl)-7-(4-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C18H24FN3
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| Molecular Weight |
301.409
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| Canonical SMILES |
CCC1(NC2=NCCNC(c3ccc(F)cc3)=C2)CCCC1
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| InChI |
InChI=1S/C18H24FN3/c1-2-18(9-3-4-10-18)22-17-13-16(20-11-12-21-17)14-5-7-15(19)8-6-14/h5-8,13,20H,2-4,9-12H2,1H3,(H,21,22)
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| InChIKey |
HUXJJXGLYXULJW-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