General Information of the Compound
| Compound ID |
CP0474264
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| Compound Name |
2-[3-(2,2-dimethylpropoxy)phenyl]-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 |
C22H26F3N3O2
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| Molecular Weight |
421.463
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| Canonical SMILES |
CC(C)(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3C2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H26F3N3O2/c1-21(2,3)14-30-17-6-4-5-15(11-17)12-19(29)28-10-9-26-20-16(13-28)7-8-18(27-20)22(23,24)25/h4-8,11H,9-10,12-14H2,1-3H3,(H,26,27)
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| InChIKey |
IMAASOWDRHBKJH-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