General Information of the Compound
| Compound ID |
CP0491475
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| Compound Name |
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-phenylphthalazine-1,4-dione
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| Structure |
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| Formula |
C27H27ClN4O2
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| Molecular Weight |
474.992
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C27H27ClN4O2/c28-21-8-6-11-23(20-21)30-18-16-29(17-19-30)14-7-15-31-26(33)24-12-4-5-13-25(24)27(34)32(31)22-9-2-1-3-10-22/h1-6,8-13,20H,7,14-19H2
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| InChIKey |
JAKRVNFVZSOYIR-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