General Information of the Compound
| Compound ID |
CP0542148
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| Compound Name |
5-chloro-4-[4-(oxan-4-ylmethyl)-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C14H19ClN4O3
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| Molecular Weight |
326.784
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| Canonical SMILES |
Clc1c(cn[nH]c1=O)N1CCN(CC2CCOCC2)C(=O)C1
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| InChI |
InChI=1S/C14H19ClN4O3/c15-13-11(7-16-17-14(13)21)18-3-4-19(12(20)9-18)8-10-1-5-22-6-2-10/h7,10H,1-6,8-9H2,(H,17,21)
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| InChIKey |
NGXBZNIMSOCPQW-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