General Information of the Compound
| Compound ID |
CP0911861
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| Compound Name |
Furan-2-carboxylic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccco3)C2)cc1
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| InChI |
InChI=1S/C21H29N3O3/c1-23(2)11-4-14-26-19-8-6-17(7-9-19)15-24-12-10-18(16-24)22-21(25)20-5-3-13-27-20/h3,5-9,13,18H,4,10-12,14-16H2,1-2H3,(H,22,25)/t18-/m0/s1
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| InChIKey |
GCVRPLNLONKMEL-SFHVURJKSA-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