General Information of the Compound
| Compound ID |
CP0668809
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| Compound Name |
7-(2,4-difluorophenyl)-N-(3-ethylpentan-3-yl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C18H25F2N3
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| Molecular Weight |
321.415
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| Canonical SMILES |
CCC(CC)(CC)NC1=NCCNC(c2ccc(F)cc2F)=C1
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| InChI |
InChI=1S/C18H25F2N3/c1-4-18(5-2,6-3)23-17-12-16(21-9-10-22-17)14-8-7-13(19)11-15(14)20/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H,22,23)
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| InChIKey |
IAAGTZGGIXMUPK-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