General Information of the Compound
| Compound ID |
CP0502948
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| Compound Name |
3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-phenylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C24H25ClN4O3S
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| Molecular Weight |
485.009
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccccc2)Cc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C24H25ClN4O3S/c25-20-8-6-18(7-9-20)14-27(17-22-10-11-23(33-22)29(31)32)15-19-12-13-28(16-19)24(30)26-21-4-2-1-3-5-21/h1-11,19H,12-17H2,(H,26,30)
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| InChIKey |
GTVODJKJZCFONR-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