General Information of the Compound
| Compound ID |
CP0523017
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| Compound Name |
1-[3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]ethanone
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| Structure |
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| Formula |
C19H22ClN3O3S
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| Molecular Weight |
407.923
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| Canonical SMILES |
CC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C19H22ClN3O3S/c1-14(24)22-9-8-16(12-22)11-21(10-15-2-4-17(20)5-3-15)13-18-6-7-19(27-18)23(25)26/h2-7,16H,8-13H2,1H3
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| InChIKey |
SBGCVBZYYHHIJR-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