General Information of the Compound
| Compound ID |
CP0475149
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| Compound Name |
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-phenylpyridazine-3,6-dione
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| Structure |
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| Formula |
C24H27ClN4O2
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| Molecular Weight |
438.959
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
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| InChI |
InChI=1S/C24H27ClN4O2/c25-20-7-6-10-22(19-20)27-17-15-26(16-18-27)13-4-5-14-28-23(30)11-12-24(31)29(28)21-8-2-1-3-9-21/h1-3,6-12,19H,4-5,13-18H2
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| InChIKey |
JCNNEBNDBAFWHR-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