General Information of the Compound
| Compound ID |
CP0433284
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| Compound Name |
3-bromo-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C20H21BrClN3O2
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| Molecular Weight |
450.764
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| Canonical SMILES |
Clc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C20H21BrClN3O2/c21-16-3-1-2-15(10-16)20(27)23-11-19(26)24-18-8-9-25(13-18)12-14-4-6-17(22)7-5-14/h1-7,10,18H,8-9,11-13H2,(H,23,27)(H,24,26)/t18-/m1/s1
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| InChIKey |
CYWPPUUVWBYSFX-GOSISDBHSA-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