General Information of the Compound
| Compound ID |
CP0375290
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| Compound Name |
2-[4-[2-(3-phenoxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
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| Structure |
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| Formula |
C25H22F3N3O4
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| Molecular Weight |
485.462
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| Canonical SMILES |
OC(=O)CC1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)
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| InChIKey |
KAGBRIRYKHBMAE-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