General Information of the Compound
| Compound ID |
CP0507348
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| Compound Name |
tert-butyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C22H28ClN3O4S
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| Molecular Weight |
466.003
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C22H28ClN3O4S/c1-22(2,3)30-21(27)25-11-10-17(14-25)13-24(12-16-4-6-18(23)7-5-16)15-19-8-9-20(31-19)26(28)29/h4-9,17H,10-15H2,1-3H3
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| InChIKey |
UYNQMTDBYISFRT-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