General Information of the Compound
| Compound ID |
CP0488499
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| Compound Name |
N-methyl-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline;hydrochloride
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| Structure |
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| Formula |
C19H25ClN4O2
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| Molecular Weight |
376.888
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| Canonical SMILES |
Cl.CN(CCN1CCN(CC1)c1ccccc1)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H24N4O2.ClH/c1-20(18-8-5-9-19(16-18)23(24)25)10-11-21-12-14-22(15-13-21)17-6-3-2-4-7-17;/h2-9,16H,10-15H2,1H3;1H
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| InChIKey |
SVAKGQQKDUUFNU-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