General Information of the Compound
| Compound ID |
CP0426300
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| Compound Name |
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-ethyl-4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C31H37N7O3
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| Molecular Weight |
555.683
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| Canonical SMILES |
CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)cc1C
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| InChI |
InChI=1S/C31H37N7O3/c1-6-20-18-21(11-12-23(20)27-19(2)17-26(39)34-35-27)32-29(40)28-24-9-7-8-10-25(24)38(36-28)22-13-15-37(16-14-22)30(41)33-31(3,4)5/h7-12,17-18,22H,6,13-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,39)
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| InChIKey |
CBJJVDGOKCKJSU-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