General Information of the Compound
| Compound ID |
CP0400025
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| Compound Name |
N-[2-(2-methoxyphenyl)ethyl]-4-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-22(26)16-18-29(24-15-17-28-19-24)27(30)23-11-13-25(14-12-23)32-20-21-7-3-2-4-8-21/h2-14,24,28H,15-20H2,1H3
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| InChIKey |
HANVMPYHKVVYQL-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