General Information of the Compound
| Compound ID |
CP0457471
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| Compound Name |
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C29H32ClN7O3
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| Molecular Weight |
562.074
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| Canonical SMILES |
Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C29H32ClN7O3/c1-17-15-24(38)33-34-25(17)20-10-9-18(16-22(20)30)31-27(39)26-21-7-5-6-8-23(21)37(35-26)19-11-13-36(14-12-19)28(40)32-29(2,3)4/h5-10,15-16,19H,11-14H2,1-4H3,(H,31,39)(H,32,40)(H,33,38)
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| InChIKey |
ALBLEYGPSIYNJJ-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