General Information of the Compound
| Compound ID |
CP0527618
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| Compound Name |
N-[3-[1-[3-[3-(4-chlorophenyl)-4,5-dimethyl-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C28H33ClN4O2
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| Molecular Weight |
493.051
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(c(C)c(C)c2=O)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C28H33ClN4O2/c1-19-20(2)28(35)33(31-27(19)23-8-10-25(29)11-9-23)15-5-14-32-16-12-22(13-17-32)24-6-4-7-26(18-24)30-21(3)34/h4,6-11,18,22H,5,12-17H2,1-3H3,(H,30,34)
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| InChIKey |
HJBHPJMKFHURAF-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