General Information of the Compound
| Compound ID |
CP0432528
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| Compound Name |
N-butyl-3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H29ClN4O3S
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| Molecular Weight |
465.019
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| Canonical SMILES |
CCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C22H29ClN4O3S/c1-2-3-11-24-22(28)26-12-10-18(15-26)14-25(13-17-4-6-19(23)7-5-17)16-20-8-9-21(31-20)27(29)30/h4-9,18H,2-3,10-16H2,1H3,(H,24,28)
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| InChIKey |
OIFUKEYXUNJNJZ-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