General Information of the Compound
| Compound ID |
CP0481033
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| Compound Name |
2-(3-cyclopentyloxyphenyl)-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 |
C22H24F3N3O2
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| Molecular Weight |
419.447
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| Canonical SMILES |
FC(F)(F)c1ccc2CN(CCNc2n1)C(=O)Cc1cccc(OC2CCCC2)c1
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| InChI |
InChI=1S/C22H24F3N3O2/c23-22(24,25)19-9-8-16-14-28(11-10-26-21(16)27-19)20(29)13-15-4-3-7-18(12-15)30-17-5-1-2-6-17/h3-4,7-9,12,17H,1-2,5-6,10-11,13-14H2,(H,26,27)
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| InChIKey |
XTUIMASVNDINAN-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