General Information of the Compound
| Compound ID |
CP0075312
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| Compound Name |
(4-(4-(3-methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C26H24N4O2
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| Molecular Weight |
424.504
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| Canonical SMILES |
COc1cccc(c1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)24-22-12-5-6-13-23(22)25(28-27-24)29-14-16-30(17-15-29)26(31)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
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| InChIKey |
KFQXLGDDSNDVJS-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