General Information of the Compound
| Compound ID |
CP0445074
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| Compound Name |
4-(3-(4-(N-methylacetamido)phenyl)pentan-3-yl)phenyl azepane-1-carboxylate
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| Structure |
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| Formula |
C27H36N2O3
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| Molecular Weight |
436.596
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| Canonical SMILES |
CCC(CC)(c1ccc(OC(=O)N2CCCCCC2)cc1)c1ccc(cc1)N(C)C(C)=O
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| InChI |
InChI=1S/C27H36N2O3/c1-5-27(6-2,22-11-15-24(16-12-22)28(4)21(3)30)23-13-17-25(18-14-23)32-26(31)29-19-9-7-8-10-20-29/h11-18H,5-10,19-20H2,1-4H3
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| InChIKey |
QJWUDJSBTFQNDT-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