General Information of the Compound
| Compound ID |
CP0932564
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| Compound Name |
N-tert-butyl-7-(3-(trifluoromethyl)phenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C16H20F3N3
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| Molecular Weight |
311.351
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| Canonical SMILES |
CC(C)(C)NC1=NCCNC(c2cccc(C(F)(F)F)c2)=C1
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| InChI |
InChI=1S/C16H20F3N3/c1-15(2,3)22-14-10-13(20-7-8-21-14)11-5-4-6-12(9-11)16(17,18)19/h4-6,9-10,20H,7-8H2,1-3H3,(H,21,22)
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| InChIKey |
WZVQCGWNABPJAB-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