General Information of the Compound
| Compound ID |
CP0265716
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| Compound Name |
9-(3-(2-fluoropyridin-3-yl)phenyl)-9-(4-(trifluoromethoxy)phenyl)-3,4,5,9-tetrahydro-2H-imidazo[1,5-a][1,3]diazepin-7-amine
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| Structure |
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| Formula |
C25H21F4N5O
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| Molecular Weight |
483.469
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| Canonical SMILES |
NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C25H21F4N5O/c26-21-20(7-4-13-31-21)16-5-3-6-18(15-16)24(17-8-10-19(11-9-17)35-25(27,28)29)22-32-12-1-2-14-34(22)23(30)33-24/h3-11,13,15H,1-2,12,14H2,(H2,30,33)
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| InChIKey |
AMHTVOUZASNVCQ-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