General Information of the Compound
| Compound ID |
CP0509452
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| Compound Name |
2-(3-ethoxyphenyl)-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 |
C19H20F3N3O2
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| Molecular Weight |
379.382
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| Canonical SMILES |
CCOc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
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| InChI |
InChI=1S/C19H20F3N3O2/c1-2-27-15-5-3-4-13(10-15)11-17(26)25-9-8-23-18-14(12-25)6-7-16(24-18)19(20,21)22/h3-7,10H,2,8-9,11-12H2,1H3,(H,23,24)
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| InChIKey |
ZXAOZEPFLLAHTI-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: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3