General Information of the Compound
| Compound ID |
CP0379943
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| Compound Name |
2-(4-phenoxyphenyl)-1-[2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]ethanone
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| Structure |
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| Formula |
C27H20F3N3O2
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| Molecular Weight |
475.47
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| Canonical SMILES |
FC(F)(F)c1ccc2CN(C(=O)Cc3ccc(Oc4ccccc4)cc3)c3ccccc3Nc2n1
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| InChI |
InChI=1S/C27H20F3N3O2/c28-27(29,30)24-15-12-19-17-33(23-9-5-4-8-22(23)31-26(19)32-24)25(34)16-18-10-13-21(14-11-18)35-20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
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| InChIKey |
FTLPKHNFBMSRGC-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