General Information of the Compound
| Compound ID |
CP0482346
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| Compound Name |
N,N-dibenzyl-2-[2-(2,4-dinitrophenyl)sulfanyl-1H-indol-3-yl]ethanamine
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| Structure |
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| Formula |
C30H26N4O4S
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| Molecular Weight |
538.629
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Sc2[nH]c3ccccc3c2CCN(Cc2ccccc2)Cc2ccccc2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C30H26N4O4S/c35-33(36)24-15-16-29(28(19-24)34(37)38)39-30-26(25-13-7-8-14-27(25)31-30)17-18-32(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19,31H,17-18,20-21H2
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| InChIKey |
RXMZNQNBGYJMJU-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