General Information of the Compound
| Compound ID |
CP0509453
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| Compound Name |
2-[(5R)-4-[2-[3-(6-methylpyridin-3-yl)oxyphenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
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| Synonyms |
BDBM50447475
GTPL8509
PMID24412111C9g
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| Structure |
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| Formula |
C25H23F3N4O4
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| Molecular Weight |
500.477
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| Canonical SMILES |
Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4[C@H]3CC(O)=O)C(F)(F)F)c2)cn1
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| InChI |
InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1
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| InChIKey |
PPSMYAUEJRADFE-HXUWFJFHSA-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
Clinical Information about the Compound
Drug 1 ( PMID24412111C9g )
| Drug Name | PMID24412111C9g | ||
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