General Information of the Compound
| Compound ID |
CP0194393
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| Compound Name |
2-[3-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
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| Structure |
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| Formula |
C25H19F6N5O4S
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| Molecular Weight |
599.513
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| Canonical SMILES |
CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33)
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| InChIKey |
YCHNUNUYYJFOCT-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