General Information of the Compound
| Compound ID |
CP0393052
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| Compound Name |
N-[3-chloro-4-[1'-(hydroxymethyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1-carbonyl]phenyl]-5-fluoro-2-methylbenzamide
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| Structure |
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| Formula |
C30H28ClFN2O3
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| Molecular Weight |
519.016
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| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(CCC(CO)=C3)Cc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C30H28ClFN2O3/c1-19-6-7-22(32)14-25(19)28(36)33-23-8-9-24(26(31)15-23)29(37)34-13-12-30(11-10-20(16-30)18-35)17-21-4-2-3-5-27(21)34/h2-9,14-16,35H,10-13,17-18H2,1H3,(H,33,36)
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| InChIKey |
JEEOATSLLSEHFL-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