General Information of the Compound
| Compound ID |
CP0201461
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| Compound Name |
1-[[1-(tert-butylcarbamoyl)azetidin-3-yl]methyl]-N-[3-chloro-4-(6-oxo-1H-pyridazin-3-yl)phenyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C27H28ClN7O3
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| Molecular Weight |
534.02
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3ccc(=O)[nH]n3)c3ccccc23)C1
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| InChI |
InChI=1S/C27H28ClN7O3/c1-27(2,3)30-26(38)34-13-16(14-34)15-35-22-7-5-4-6-19(22)24(33-35)25(37)29-17-8-9-18(20(28)12-17)21-10-11-23(36)32-31-21/h4-12,16H,13-15H2,1-3H3,(H,29,37)(H,30,38)(H,32,36)
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| InChIKey |
VKTHNGMMHIFEOQ-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