General Information of the Compound
| Compound ID |
CP0955575
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| Compound Name |
7-(2-fluorophenyl)-N-neopentyl-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C16H22FN3
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| Molecular Weight |
275.371
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| Canonical SMILES |
CC(C)(C)CNC1=NCCNC(c2ccccc2F)=C1
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| InChI |
InChI=1S/C16H22FN3/c1-16(2,3)11-20-15-10-14(18-8-9-19-15)12-6-4-5-7-13(12)17/h4-7,10,18H,8-9,11H2,1-3H3,(H,19,20)
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| InChIKey |
FIQYTMTZEUGCAK-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