General Information of the Compound
| Compound ID |
CP0457470
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| Compound Name |
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-3-ethylphenyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C32H39N7O3
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| Molecular Weight |
569.71
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| Canonical SMILES |
CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)c(C)c1C
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| InChI |
InChI=1S/C32H39N7O3/c1-7-21-18-22(12-13-24(21)27-19(2)20(3)29(40)36-35-27)33-30(41)28-25-10-8-9-11-26(25)39(37-28)23-14-16-38(17-15-23)31(42)34-32(4,5)6/h8-13,18,23H,7,14-17H2,1-6H3,(H,33,41)(H,34,42)(H,36,40)
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| InChIKey |
GUCSYQHDCYSRTM-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