General Information of the Compound
| Compound ID |
CP0047444
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| Compound Name |
2-Chloro-3-[4-(2-nitro-phenyl)-piperazin-1-yl]-[1,4]naphthoquinone
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| Structure |
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| Formula |
C20H16ClN3O4
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| Molecular Weight |
397.818
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C20H16ClN3O4/c21-17-18(20(26)14-6-2-1-5-13(14)19(17)25)23-11-9-22(10-12-23)15-7-3-4-8-16(15)24(27)28/h1-8H,9-12H2
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| InChIKey |
SPHZCDKPHYBGQR-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
Protein ID: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor