General Information of the Compound
| Compound ID |
CP0076783
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| Compound Name |
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-(6-oxo-1H-pyridazin-3-yl)phenyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C28H30ClN7O3
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| Molecular Weight |
548.047
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(c(Cl)c2)-c2ccc(=O)[nH]n2)c2ccccc12
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| InChI |
InChI=1S/C28H30ClN7O3/c1-28(2,3)31-27(39)35-14-12-18(13-15-35)36-23-7-5-4-6-20(23)25(34-36)26(38)30-17-8-9-19(21(29)16-17)22-10-11-24(37)33-32-22/h4-11,16,18H,12-15H2,1-3H3,(H,30,38)(H,31,39)(H,33,37)
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| InChIKey |
FBKGMJHEOILCQJ-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