General Information of the Compound
| Compound ID |
CP0236186
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| Compound Name |
2-(5-(4-methylpiperazin-1-yl)-2-nitrophenyl)-4-phenylphthalazin-1(2H)-one
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| Structure |
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| Formula |
C25H23N5O3
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| Molecular Weight |
441.491
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(c1)-n1nc(-c2ccccc2)c2ccccc2c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C25H23N5O3/c1-27-13-15-28(16-14-27)19-11-12-22(30(32)33)23(17-19)29-25(31)21-10-6-5-9-20(21)24(26-29)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
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| InChIKey |
PLHTVUFOHHOCSF-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic