General Information of the Compound
| Compound ID |
CP0289902
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| Compound Name |
methyl 2-[[1-[4-[(5-fluoro-2-methylbenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carbonyl]amino]acetate
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| Structure |
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| Formula |
C33H32FN3O5
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| Molecular Weight |
569.633
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| Canonical SMILES |
COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C33H32FN3O5/c1-21-7-10-25(34)17-27(21)31(40)36-26-11-8-22(9-12-26)32(41)37-16-15-33(18-23-5-3-4-6-28(23)37)14-13-24(19-33)30(39)35-20-29(38)42-2/h3-12,17,19H,13-16,18,20H2,1-2H3,(H,35,39)(H,36,40)
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| InChIKey |
LCAJHIWAYHQYBE-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