General Information of the Compound
| Compound ID |
CP0479729
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| Compound Name |
1H-indol-2-yl-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H22N4O4
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| Molecular Weight |
394.431
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| Canonical SMILES |
[O-][N+](=O)c1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C21H22N4O4/c26-21(20-15-16-3-1-2-4-19(16)22-20)24-11-9-23(10-12-24)13-14-29-18-7-5-17(6-8-18)25(27)28/h1-8,15,22H,9-14H2
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| InChIKey |
PAWLYZOLWHOCDX-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