General Information of the Compound
| Compound ID |
CP0917881
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| Compound Name |
N-(2-cyclobutylpropan-2-yl)-7-(2,4-difluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C18H23F2N3
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| Molecular Weight |
319.399
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| Canonical SMILES |
CC(C)(NC1=NCCNC(c2ccc(F)cc2F)=C1)C1CCC1
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| InChI |
InChI=1S/C18H23F2N3/c1-18(2,12-4-3-5-12)23-17-11-16(21-8-9-22-17)14-7-6-13(19)10-15(14)20/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,22,23)
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| InChIKey |
JWZBRHICAGOWSR-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