General Information of the Compound
| Compound ID |
CP0111540
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| Compound Name |
1-(3-Benzyl-pyrrolidin-1-yl)-2-(1H-indol-3-yl)-ethanone
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1
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| InChI |
InChI=1S/C21H22N2O/c24-21(13-18-14-22-20-9-5-4-8-19(18)20)23-11-10-17(15-23)12-16-6-2-1-3-7-16/h1-9,14,17,22H,10-13,15H2
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| InChIKey |
TYSLMXDXDTVHKA-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