General Information of the Compound
| Compound ID |
CP0192143
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| Compound Name |
3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C25H22F3N5O4S
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| Molecular Weight |
545.543
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34)
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| InChIKey |
OWHAXINQHAYRCT-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