General Information of the Compound
| Compound ID |
CP0880331
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| Compound Name |
Benzo[1,3]dioxole-5-carboxylic acid {(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1
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| InChI |
InChI=1S/C24H31N3O4/c1-26(2)11-3-13-29-21-7-4-18(5-8-21)15-27-12-10-20(16-27)25-24(28)19-6-9-22-23(14-19)31-17-30-22/h4-9,14,20H,3,10-13,15-17H2,1-2H3,(H,25,28)/t20-/m0/s1
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| InChIKey |
IUEOPNSORDJPDT-FQEVSTJZSA-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