General Information of the Compound
| Compound ID |
CP0525880
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| Compound Name |
(+/-)-N-(1-(3-bromo-4-(1-methylpyrrolidin-3-yloxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C23H26BrCl2N3O2
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| Molecular Weight |
527.29
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| Canonical SMILES |
CN1CCC(C1)Oc1ccc(CN2CCC(C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br
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| InChI |
InChI=1S/C23H26BrCl2N3O2/c1-28-8-7-18(14-28)31-22-5-2-15(10-19(22)24)12-29-9-6-17(13-29)27-23(30)16-3-4-20(25)21(26)11-16/h2-5,10-11,17-18H,6-9,12-14H2,1H3,(H,27,30)
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| InChIKey |
XESAEBNNDALGPZ-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