General Information of the Compound
Compound ID |
CP0454098
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Compound Name |
1-({4-[(2-fluorobenzene)amido]phenyl}carbonyl)-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-ene-3'-carboxylic acid
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Structure |
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Formula |
C29H25FN2O4
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Molecular Weight |
484.527
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Canonical SMILES |
OC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
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InChI |
InChI=1S/C29H25FN2O4/c30-24-7-3-2-6-23(24)26(33)31-22-11-9-19(10-12-22)27(34)32-16-15-29(14-13-21(18-29)28(35)36)17-20-5-1-4-8-25(20)32/h1-12,18H,13-17H2,(H,31,33)(H,35,36)
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InChIKey |
OYJMTUNQMZHGHW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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