General Information of the Compound
| Compound ID |
CP0524694
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| Compound Name |
N-[3-[1-[3-[4-(4-chlorophenyl)-7-methoxy-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H33ClN4O3
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| Molecular Weight |
545.083
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| Canonical SMILES |
COc1ccc2c(nn(CCCN3CCC(CC3)c3cccc(NC(C)=O)c3)c(=O)c2c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H33ClN4O3/c1-21(37)33-26-6-3-5-24(19-26)22-13-17-35(18-14-22)15-4-16-36-31(38)29-20-27(39-2)11-12-28(29)30(34-36)23-7-9-25(32)10-8-23/h3,5-12,19-20,22H,4,13-18H2,1-2H3,(H,33,37)
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| InChIKey |
YRVJUNSQURNVPU-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