General Information of the Compound
| Compound ID |
CP0037761
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| Compound Name |
phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C25H22N4O
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| Molecular Weight |
394.478
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| Canonical SMILES |
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2
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| InChIKey |
OEZQQFDHMPRYIY-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