General Information of the Compound
| Compound ID |
CP0070156
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| Compound Name |
2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone
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| Structure |
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| Formula |
C21H20N2O2
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| Molecular Weight |
332.403
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| Canonical SMILES |
O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12
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| InChI |
InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2
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| InChIKey |
ZTVZJPLQFQZWPX-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor