General Information of the Compound
| Compound ID |
CP0915682
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| Compound Name |
Benzofuran-2-carboxylic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1
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| InChI |
InChI=1S/C25H31N3O3/c1-27(2)13-5-15-30-22-10-8-19(9-11-22)17-28-14-12-21(18-28)26-25(29)24-16-20-6-3-4-7-23(20)31-24/h3-4,6-11,16,21H,5,12-15,17-18H2,1-2H3,(H,26,29)/t21-/m0/s1
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| InChIKey |
IAWAYLJQCFJZPW-NRFANRHFSA-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