General Information of the Compound
| Compound ID |
CP0392854
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| Compound Name |
2-[3-(3-fluorophenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
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| Structure |
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| Formula |
C23H19F4N3O2
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| Molecular Weight |
445.416
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| Canonical SMILES |
Fc1cccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)c1
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| InChI |
InChI=1S/C23H19F4N3O2/c24-17-4-2-6-19(13-17)32-18-5-1-3-15(11-18)12-21(31)30-10-9-28-22-16(14-30)7-8-20(29-22)23(25,26)27/h1-8,11,13H,9-10,12,14H2,(H,28,29)
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| InChIKey |
CBXLSLAIFWDLME-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
Protein ID: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3