General Information of the Compound
| Compound ID |
CP0389708
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| Compound Name |
2-(3-methoxyphenyl)-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 |
C18H18F3N3O2
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| Molecular Weight |
365.355
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| Canonical SMILES |
COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
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| InChI |
InChI=1S/C18H18F3N3O2/c1-26-14-4-2-3-12(9-14)10-16(25)24-8-7-22-17-13(11-24)5-6-15(23-17)18(19,20)21/h2-6,9H,7-8,10-11H2,1H3,(H,22,23)
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| InChIKey |
NCHSCIFTBQDTOS-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