General Information of the Compound
| Compound ID |
CP0397844
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| Compound Name |
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
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| Structure |
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| Formula |
C20H24ClN3O3
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| Molecular Weight |
389.883
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| Canonical SMILES |
COc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
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| InChI |
InChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
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| InChIKey |
AEMWRIGKOGGMDH-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