General Information of the Compound
| Compound ID |
CP0152611
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| Compound Name |
4-(((3S)-1-sec-butyl-5-oxopyrrolidin-3-yl)(2-methylbenzyl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C23H26ClN3O
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| Molecular Weight |
395.934
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| Canonical SMILES |
CCC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H26ClN3O/c1-4-17(3)26-15-21(12-23(26)28)27(14-19-8-6-5-7-16(19)2)20-10-9-18(13-25)22(24)11-20/h5-11,17,21H,4,12,14-15H2,1-3H3/t17?,21-/m0/s1
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| InChIKey |
MYDCMDSRMKJEGU-LFABVHOISA-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