General Information of the Compound
| Compound ID |
CP0481032
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| Compound Name |
2-(3-pyridin-4-yloxyphenyl)-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 |
C22H19F3N4O2
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| Molecular Weight |
428.414
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| Canonical SMILES |
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(Oc2ccncc2)c1
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| InChI |
InChI=1S/C22H19F3N4O2/c23-22(24,25)19-5-4-16-14-29(11-10-27-21(16)28-19)20(30)13-15-2-1-3-18(12-15)31-17-6-8-26-9-7-17/h1-9,12H,10-11,13-14H2,(H,27,28)
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| InChIKey |
JNGVFVJHAOALEZ-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