General Information of the Compound
| Compound ID |
CP0430964
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| Compound Name |
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-phenylphthalazine-1,4-dione
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| Structure |
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| Formula |
C28H29ClN4O2
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| Molecular Weight |
489.019
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C28H29ClN4O2/c29-22-9-8-12-24(21-22)31-19-17-30(18-20-31)15-6-7-16-32-27(34)25-13-4-5-14-26(25)28(35)33(32)23-10-2-1-3-11-23/h1-5,8-14,21H,6-7,15-20H2
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| InChIKey |
NNWJWMQRYGBQGY-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