General Information of the Compound
| Compound ID |
CP0493778
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| Compound Name |
N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C26H29ClN4O2
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| Molecular Weight |
464.997
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(ccc2=O)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C26H29ClN4O2/c1-19(32)28-24-5-2-4-22(18-24)20-12-16-30(17-13-20)14-3-15-31-26(33)11-10-25(29-31)21-6-8-23(27)9-7-21/h2,4-11,18,20H,3,12-17H2,1H3,(H,28,32)
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| InChIKey |
NNCGMLUTAMGCGM-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