General Information of the Compound
| Compound ID |
CP0525881
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| Compound Name |
(R)-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)-4-bromobenzamide
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| Structure |
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| Formula |
C23H30BrN3O2
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| Molecular Weight |
460.416
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](C2)NC(=O)c2ccc(Br)cc2)cc1
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| InChI |
InChI=1S/C23H30BrN3O2/c1-26(2)13-3-15-29-22-10-4-18(5-11-22)16-27-14-12-21(17-27)25-23(28)19-6-8-20(24)9-7-19/h4-11,21H,3,12-17H2,1-2H3,(H,25,28)/t21-/m1/s1
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| InChIKey |
FBJCHFHVYRMSBS-OAQYLSRUSA-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