General Information of the Compound
| Compound ID |
CP0508711
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| Compound Name |
2-phenyl-N-[4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepine-4-carbonyl)phenyl]benzamide
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| Structure |
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| Formula |
C28H25N3O2
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| Molecular Weight |
435.527
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2[nH]ccc12)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C28H25N3O2/c32-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)30-22-15-13-21(14-16-22)28(33)31-19-7-6-12-25-26(31)17-18-29-25/h1-5,8-11,13-18,29H,6-7,12,19H2,(H,30,32)
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| InChIKey |
CZEMALQIHKWPAQ-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